################################################################################
#            GTH POTENTIALS OPTIMIZED USING THE UZH PROTOCOL
################################################################################
#
# HISTORY:
#     Version 1.0 May 2021        PBE:GGA
#                                 SCAN:MGGA
#                                 PBE0:HYB
#
################################################################################
#
# GTH Pseudopotentials optimized for PBE
#
#  &METHOD
#     METHOD_TYPE  KOHN-SHAM
#     RELATIVISTIC DKH(3)
#     &XC
#       &XC_FUNCTIONAL PBE
#       &END XC_FUNCTIONAL
#     &END XC
#  &END METHOD
#
#  &POTENTIAL
#    CONFINEMENT_TYPE  BARRIER
#    CONFINEMENT 200. 4.0 12.0 
#  &END POTENTIAL
#
#  &POWELL
#      WEIGHT_PSIR0 0.0
#      TARGET_POT_SEMICORE      [eV]      0.003000
#      TARGET_POT_VALENCE       [eV]      0.000300
#      TARGET_POT_VIRTUAL       [eV]      0.003000
#  &END
#
#   Pseudopotential form
#
#     Atom    Zcore   Zval    NC    NPS  NPP  NPD  NPF
#   1  H          0      1     2      0    0    0    0
#   2  He         0      2     2      0    0    0    0
#   3  Li         2      1     2      1    1    0    0
#                 0      3     4      0    0    0    0
#   4  Be         2      2     2      1    1    0    0
#                 0      4     4      0    0    0    0
#   5  B          2      3     2      1    0    0    0
#   6  C          2      4     2      1    0    0    0
#   7  N          2      5     2      1    0    0    0
#   8  O          2      6     2      1    0    0    0
#   9  F          2      7     2      1    0    0    0
#  10  Ne         2      8     3      2    1    0    0
#  11  Na        10      1     1      2    1    0    0
#                 2      9     2      1    1    0    0
#  12  Mg        10      2     1      2    1    0    0
#                 2     10     2      1    1    0    0
#  13  Al        10      3     1      2    1    0    0
#  14  Si        10      4     1      2    1    0    0
#  15  P         10      5     1      2    1    0    0
#  16  S         10      6     1      2    1    0    0
#  17  Cl        10      7     1      2    1    0    0
#  18  Ar        10      8     1      2    1    0    0
#  19  K         18      1     1      3    2    1    0
#                10      9     2      2    2    0    0
#  20  Ca        18      2     1      3    2    1    0
#                10     10     2      2    2    1    0
#  21  Sc        18      3     1      3    2    1    0
#                10     11     2      2    2    1    0
#  22  Ti        18      4     0      3    2    1    0
#                10     12     2      2    2    1    0
#  23  V         18      5     0      3    2    1    0
#                10     13     2      2    2    1    0
#  24  Cr        18      6     0      3    2    1    0
#                10     14     2      2    2    1    0
#  25  Mn        18      7     0      3    2    1    0
#                10     15     2      2    2    1    0
#  26  Fe        18      8     1      3    2    1    0
#                10     16     2      2    2    1    0
#  27  Co        18      9     1      3    2    1    0
#                10     17     2      2    2    1    0
#  28  Ni        18     10     1      3    2    1    0
#                10     18     2      2    2    1    0
#  29  Cu        28      1     0      3    2    1    0
#                18     11     0      3    2    1    0
#                10     19     2      2    2    1    0
#  30  Zn        28      2     1      3    2    1    0
#                18     12     0      3    2    1    0
#                10     20     2      2    2    1    0
#  31  Ga        28      3     0      3    2    1    0
#                18     13     0      3    2    1    0
#                10     21     3      2    2    1    0
#  32  Ge        28      4     0      3    2    1    0
#                18     14     0      3    2    1    0
#                10     22     2      2    2    1    0
#  33  As        28      5     0      3    2    1    0
#                18     15     0      3    2    1    0
#                10     23     2      2    2    1    0
#  34  Se        28      6     2      3    2    1    0
#                18     16     0      3    2    1    0
#                10     24     2      2    2    1    0
#  35  Br        28      7     1      3    2    1    0
#                18     17     0      3    2    1    0
#                10     25     2      2    2    1    0
#  36  Kr        28      8     0      3    2    1    0
#                18     18     1      3    2    1    0
#                10     26     2      2    2    1    0
#  37  Rb        36      1     2      3    2    1    0
#                28      9     2      2    2    1    0
#  38  Sr        36      2     2      3    2    1    0
#                28     10     2      2    2    1    0
#  39  Y         36      3     2      3    2    2    0
#                28     11     3      2    2    2    0
#  40  Zr        36      4     2      3    2    2    0
#                28     12     2      2    2    2    0
#  41  Nb        36      5     2      2    2    2    0
#                28     13     2      2    2    2    0
#  42  Mo        36      6     2      2    2    2    0
#                28     14     2      2    2    2    0
#  43  Tc        36      7     2      2    2    2    0
#                28     15     2      2    2    2    0
#  44  Ru        36      8     1      2    2    2    0
#                28     16     2      2    2    2    0
#  45  Rh        36      9     1      2    2    2    0
#                28     17     2      2    2    2    0
#  46  Pd        36     10     1      2    2    2    0
#                28     18     2      2    2    2    0
#  47  Ag        46      1     1      3    2    1    0
#                36     11     1      3    2    2    0
#                28     19     3      2    2    2    0
#  48  Cd        46      2     1      3    2    1    0
#                36     12     1      3    2    2    0
#                28     20     3      2    2    2    0
#  49  In        46      3     1      3    2    1    0
#                36     13     1      3    2    2    0
#                28     21     3      2    2    2    0
#  50  Sn        46      4     1      3    2    1    0
#                36     14     1      3    2    2    0
#                28     22     3      2    2    2    0
#  51  Sb        46      5     1      3    2    1    0
#                36     15     1      3    2    2    0
#                28     23     3      2    2    2    0
#  52  Te        46      6     1      3    2    1    0
#                36     16     1      3    2    2    0
#                28     24     3      2    2    2    0
#  53  I         46      7     1      3    2    1    0
#                36     17     1      3    2    2    0
#                28     25     3      2    2    2    0
#  54  Xe        46      8     1      3    2    1    0
#                36     18     1      3    2    2    0
#                28     26     3      2    2    2    0
#  55  Cs        54      1     0      3    2    1    0
#                46      9     2      2    2    1    1
#  56  Ba        54      2     1      3    2    1    0
#                46     10     2      2    2    1    1
#  57  La        54      3
#                46     11     3      2    2    1    1
#                28     29
#  58  Ce        54      4
#                46     12     2      2    2    1    1
#                28     30     2      2    3    1    1
#  59  Pr        54      5
#                46     13     2      2    2    1    1
#                28     31
#  60  Nd        54      6
#                46     14     2      2    2    1    1
#                28     32
#  61  Pm        54      7
#                46     15     2      2    2    1    1
#                28     33
#  62  Sm        54      8
#                46     16     2      2    2    1    1
#                28     34
#  63  Eu        54      9
#                46     17     2      2    2    1    1
#                28     35
#  64  Gd        54     10
#                46     18     2      2    2    1    1
#                28     36
#  65  Tb        54     11
#                46     19     2      2    2    1    1
#                28     37
#  66  Dy        54     12
#                46     20     2      2    2    1    1
#                28     38
#  67  Ho        54     13
#                46     21     2      2    2    1    1
#                28     39
#  68  Er        54     14
#                46     22     2      2    2    1    1
#                28     40
#  69  Tm        54     15
#                46     23     2      2    2    1    1
#                28     41
#  70  Yb        54     16
#                46     24     2      2    2    1    1
#                28     42
#  71  Lu        54     17
#                46     25     2      2    2    1    1
#                28     43
#  72  Hf        68      4
#                60     12     2      3    2    2    0
#  73  Ta        68      5     1      2    2    2    0
#                60     13     2      3    2    2    0
#  74  W         68      6     1      2    2    2    0
#                60     14     2      3    2    2    0
#  75  Re        68      7     1      2    2    2    0
#                60     15     2      3    2    2    0
#  76  Os        68      8     1      2    2    2    0
#                60     16     2      3    2    2    0
#  77  Ir        68      9     1      2    2    2    0
#                60     17     2      3    2    2    0
#  78  Pt        68     10     1      2    2    2    0
#                60     18     2      3    2    2    0
#  79  Au        78      1     2      3    3    0    0
#                68     11     1      2    2    2    0
#                60     19     2      3    3    2    0
#  80  Hg        78      2     1      3    2    1    0
#                68     12     1      2    2    2    0
#                60     20     2      3    3    2    0
#  81  Tl        78      3     1      3    2    1    0
#                68     13     1      2    2    2    0
#                60     21     2      3    3    2    0
#  82  Pb        78      4     1      3    2    1    0
#                68     14     1      2    2    2    0
#                60     22     2      3    3    2    0
#  83  Bi        78      5     1      3    2    1    0
#                68     15     1      2    2    2    0
#                60     23     2      3    3    2    0
#  84  Po        78      6     1      3    2    1    0
#                68     16     3      2    2    2    0
#                60     24     2      3    3    2    0
#  85  At        78      7     1      3    2    1    0
#                68     17     3      2    2    2    0
#                60     25     2      3    3    2    0
#  86  Rn        78      8     1      3    2    1    0
#                68     18     3      2    2    2    0
#                60     26     2      3    3    2    0
#
#
#  Current maximal deviations [eV]
#
#    Atom  Q          SC              VA              U1
#   1  H   1        ==         -0.000054        0.000082 *****
#                                               0.000217
#   2  He  2        ==         -0.000024        0.000185 *****
#                                               0.000375
#   3  Li  1        ==          0.000300       -0.002538 *****
#                                              -0.003000
#                                               0.002841
#   3  Li  3    0.003029       -0.000295       -0.000187 *****
#                                               0.000325
#                                               0.000070
#   4  Be  2        ==          0.000296       -0.001783 *****
#                                               0.000147
#                                               0.000781
#   4  Be  4   -0.002248       -0.000107        0.000133 *****
#                                               0.002341
#                                               0.000028
#   5  B   3        ==          0.000064       -0.000847 *****
#                               0.000106        0.000688
#                                              -0.000070
#   6  C   4        ==          0.000269       -0.000940 *****
#                               0.000289       -0.000357
#                                               0.000120
#   7  N   5        ==          0.000083       -0.001012 *****
#                               0.000031        0.000301
#                                              -0.000053
#   8  O   6        ==          0.000253       -0.001224 *****
#                               0.000152        0.000346
#                                               0.000072
#   9  F   7        ==         -0.000292       -0.001222 *****
#                              -0.000299        0.000423
#                                               0.000012
#  10  Ne  8        ==         -0.000265       -0.001346 *****
#                              -0.000287        0.000446
#                                               0.000278
#  11  Na  1        ==         -0.000497        0.049640  ****
#                                              -0.001737
#                                              -0.033190
#  11  Na  9   -0.000887        0.000297        0.000352  ****
#               0.001956                       -0.001037
#                                              -0.000017
#  12  Mg  2        ==          0.000310       -0.007195  ****
#                                               0.000795
#                                               0.005969
#  12  Mg 10   -0.001474        0.000090        0.000071  ****
#               0.000118                       -0.001967
#                                               0.000154
#  13  Al  3        ==         -0.000188       -0.004434    **
#                              -0.000310       -0.002350
#                                              -0.003145
#  14  Si  4        ==         -0.000084       -0.004776    **
#                              -0.000307       -0.001996
#                                              -0.002828
#  15  P   5        ==          0.000301       -0.005050    **
#                              -0.000302       -0.001854
#                                              -0.003403
#  16  S   6        ==          0.000283       -0.005487  ****
#                              -0.000306       -0.001678
#                                              -0.003432
#  17  Cl  7        ==          0.000301       -0.005960  ****
#                              -0.000305       -0.001586
#                                              -0.003840
#  18  Ar  8        ==          0.000292       -0.007130  ****
#                              -0.000298       -0.001556
#                                              -0.004483
#  19  K   1        ==          0.000501        0.115530  ****
#                                              -0.003069
#                                               0.003087 
#  19  K   9   -0.003254        0.000355       -0.003474  ****
#               0.003286                       -0.004640
#                                               0.015562 
#  20  Ca  2        ==         -0.000571        0.082232     *
#                                               0.003010
#                                              -0.001955
#  20  Ca 10   -0.003306        0.000326       -0.005093     *
#               0.003269                       -0.011138
#  21  Sc  3        ==         -0.000770        0.050705     *
#                              -0.000400       -0.003016
#                                               0.006379
#  21  Sc 11   -0.010901        0.001566       -0.005038     *
#               0.006424        0.000453        0.005359
#                                               0.000931
#  22  Ti  4        ==         -0.000651        0.035310     *
#                              -0.000355       -0.003024
#                                              -0.000865
#  22  Ti 12   -0.009783        0.001321       -0.003647     *
#               0.004874        0.000454        0.018281
#                                               0.002126
#  23  V   5        ==         -0.000423        0.016143     *
#                              -0.000337       -0.002998
#                                               0.001374
#  23  V  13   -0.007824        0.001171       -0.003655     *
#               0.005039        0.000461        0.027741
#                                               0.003242
#  24  Cr  6        ==         -0.000421        0.000405     *
#                              -0.000344       -0.002958
#                                               0.008972
#  24  Cr 14   -0.008696        0.001635       -0.001580     *
#               0.006117        0.000577        0.080506
#                                               0.004643
#  25  Mn  7        ==         -0.000384        0.019516     *
#                              -0.000312       -0.002956
#                                              -0.005344
#  25  Mn 15   -0.004441        0.000711       -0.002985     *
#               0.003491        0.000387        0.048117
#                                               0.002831
#  26  Fe  8        ==         -0.000365        0.010458     *
#                              -0.000314       -0.006700
#                                              -0.002440
#  26  Fe 16   -0.004467        0.000659       -0.002115     *
#               0.003453        0.000375        0.013160
#                                               0.002255
#  27  Co  9        ==         -0.000431        0.014951     *
#                              -0.000350       -0.002976
#                                              -0.005607
#  27  Co 17   -0.005075        0.000799       -0.002984     *
#               0.003660        0.000388        0.021670
#                                               0.002823
#  28  Ni 10        ==         -0.000386        0.010200     *
#                              -0.000326       -0.003003
#                                              -0.002721
#  28  Ni 18   -0.004817        0.000687       -0.002875     *
#               0.003627        0.000386        0.005679
#                                               0.003058
#  29  Cu  1        ==         -0.000408        0.039452     *
#                                              -0.000369
#                                              -0.004053
#  29  Cu 11        ==         -0.000333       -0.002797     *
#                              -0.000312       -0.001890
#                                               0.005998
#  29  Cu 19   -0.005049        0.000697       -0.001574     *
#               0.003440        0.000378       -0.000029
#                                               0.002485
#  30  Zn  2        ==         -0.000299        0.024978     *
#                                               0.003236
#                                               0.002776
#  30  Zn 12        ==         -0.000337       -0.002500     *
#                              -0.000311       -0.002848
#                                               0.004639
#  30  Zn 20   -0.004627        0.000785       -0.001300     *
#               0.003367        0.000414        0.030802
#                                               0.001983
#  31  Ga  3        ==          0.000314       -0.000220     *
#                               0.000343        0.000732
#                                              -0.000902
#  31  Ga 13    0.002940       -0.000300       -0.002457     *
#                              -0.000148       -0.001596
#                                               0.007150
#  31  Ga 21    0.003816       -0.000485        0.000018     *
#               0.003299       -0.000584        0.002971
#                                               0.004321
#  32  Ge  4        ==          0.000045       -0.000358     *
#                              -0.000303       -0.001237
#                                              -0.000438
#  32  Ge 14    0.004630        0.000428       -0.008268     *
#                               0.000610       -0.014387
#                                               0.036503
#  32  Ge 22    0.004886       -0.000581       -0.005781     *
#               0.003596       -0.001501        0.000383
#                                               0.014810
#  33  As  5        ==          0.000293       -0.006977     *
#                              -0.000309       -0.002733
#                                              -0.000498
#  33  As 15    0.004494        0.000460       -0.005654     *
#                               0.001220       -0.019893
#                                               0.073982
#  33  As 23   -0.003805        0.000477       -0.019286     *
#               0.004557        0.001024       -0.001197
#                                               0.029113
#  34  Se  6        ==          0.000299       -0.008583     *
#                              -0.000237       -0.001572
#                                              -0.000188
#  34  Se 16    0.004201        0.000405       -0.018541     *
#                               0.001093       -0.035719
#                                               0.163287
#  34  Se 24   -0.003990        0.000472       -0.032335     *
#              -0.004310        0.001383       -0.001306
#                                               0.052048
#  35  Br  7        ==          0.000296       -0.014704     *
#                              -0.000285       -0.001571
#                                               0.000031
#  35  Br 17    0.004587        0.000521       -0.025078     *
#                               0.001762       -0.032280
#                                               0.217335
#  35  Br 25   -0.004438        0.000545       -0.075369     *
#              -0.005354        0.001853       -0.001142
#                                               0.068410
#  36  Kr  8        ==          0.000301       -0.018850     *
#                               0.000310       -0.001686
#                                               0.000099
#  36  Kr 18    0.003800        0.000433       -0.068878     *
#                               0.001300       -0.023474
#                                               0.210639
#  36  Kr 26   -0.004173        0.000364       -0.028006     *
#               0.003153        0.000620       -0.009789
#                                               0.131931
#  37  Rb  1        ==         -0.000491        0.035420
#                                              -0.002601
#                                              -0.002358
#  37  Rb  9   -0.003762        0.000399       -0.000153
#               0.003816                        0.001197
#                                               0.003001
#  38  Sr  2        ==         -0.000458        0.058341
#                                               0.070143
#                                              -0.005653
#  38  Sr 10   -0.003673        0.000363       -0.001660
#               0.003178                        0.003601
#                                               0.003104
#  39  Y   3        ==         -0.000541       -0.048525
#                              -0.000316       -0.003651
#                                               0.036877
#  39  Y  11   -0.007858        0.000980       -0.000823
#               0.007057        0.000460       -0.002679
#                                               0.010349
#  40  Zr  4        ==         -0.000695       -0.097256
#                              -0.000478       -0.011513
#                                               0.019317
#  40  Zr 12   -0.012723        0.001627        0.001991
#               0.010530        0.000608        0.006404
#                                               0.008350
#  41  Nb  5        ==         -0.000391        0.035107
#                              -0.000370       -0.002972
#                                              -0.001340
#  41  Nb 13   -0.004924        0.000770       -0.004191
#               0.003758        0.000470        0.030110
#                                               0.005568
#  42  Mo  6        ==         -0.000378        0.039038
#                              -0.000375       -0.003003
#                                               0.001241
#  42  Mo 14   -0.004149        0.000499       -0.003735
#               0.003870        0.000400        0.020843
#                                               0.004364
#  43  Tc  7        ==         -0.000313        0.003585
#                              -0.000308       -0.003106
#                                               0.019643
#  43  Tc 15   -0.003974        0.000495       -0.001338
#               0.000902        0.000367        0.025610
#                                               0.005681
#  44  Ru  8        ==          0.000107       -0.007761
#                              -0.000304        0.003096
#                                               0.007181
#  44  Ru 16    0.001063       -0.000430        0.009999
#              -0.004450       -0.000421       -0.043907
#                                              -0.004733
#  45  Rh  9        ==         -0.000313        0.002531
#                              -0.000332       -0.007107
#                                               0.003854
#  45  Rh 17   -0.003993        0.000589        0.001804
#               0.003134        0.000442        0.043397
#                                               0.005328
#  46  Pd 10        ==         -0.000316        0.002686
#                              -0.000310        0.000236
#                                               0.003427
#  46  Pd 18   -0.004035        0.000470        0.000908
#               0.003087        0.000344        0.023966
#                                               0.005120
#  47  Ag  1        ==          0.000560       -0.015623
#                                              -0.004473
#                                              -0.013049
#  47  Ag 11        ==         -0.000325       -0.004436
#                              -0.000314       -0.004481
#                                               0.004528
#  47  Ag 19   -0.004567        0.000641       -0.003427
#               0.003385        0.000396        0.046455
#                                               0.008068
#  48  Cd  2        ==         -0.000296        0.017190
#                                              -0.002946
#                                               0.003086
#  48  Cd 12        ==         -0.000122       -0.002051
#                              -0.000297       -0.001804
#                                               0.005154
#  48  Cd 20    0.003797       -0.000445        0.000283
#              -0.002902       -0.000388       -0.024255
#                                               0.007608
#  49  In  3        ==          0.000315       -0.001386
#                               0.000316       -0.000170
#                                               0.003007
#  49  In 13   -0.003081       -0.000299       -0.003080
#                               0.000258       -0.002004
#                                               0.007985
#  49  In 21    0.003844       -0.000364       -0.003280
#              -0.002960       -0.000421       -0.000511
#              -0.005653                        0.022027
#  50  Sn  4        ==         -0.000171       -0.000723
#                              -0.000288       -0.000260
#                                              -0.000229
#  50  Sn 14    0.006498        0.000455       -0.020817
#                               0.000808       -0.026599
#                                               0.060581
#  50  Sn 22   -0.004274        0.000478       -0.007736
#              -0.003204        0.000764       -0.003462
#               0.006714                        0.045603
#  51  Sb  5        ==          0.000293       -0.004620
#                              -0.000224       -0.001279
#                                              -0.000255
#  51  Sb 15    0.006683        0.000495       -0.036985
#                               0.001199       -0.045805
#                                               0.154033
#  51  Sb 23   -0.004684        0.000498       -0.015049
#              -0.003661        0.001078       -0.005075
#               0.006169                        0.080246
#  52  Te  6        ==          0.000263       -0.008917
#                              -0.000053       -0.001560
#                                               0.000097
#  52  Te 16    0.006262        0.000513       -0.055997
#                               0.001533       -0.057424
#                                               0.274213
#  52  Te 24    0.003690        0.000436       -0.021533
#              -0.004228        0.001183       -0.007893
#               0.004626                        0.130582
#  53  I   7        ==          0.000298       -0.012467
#                               0.000160       -0.002391
#                                               0.000201
#  53  I  17    0.005953        0.000339       -0.086045
#                               0.001412       -0.054973
#                                               0.366772
#  53  I  25   -0.004986        0.000481       -0.029370
#              -0.006581        0.001548       -0.009501
#               0.005045                        0.180267
#  54  Xe  8        ==          0.000285       -0.019040
#                               0.000308       -0.003177
#                                              -0.000266
#  54  Xe 18    0.003305       -0.000391       -0.117201
#                              -0.000623       -0.053039
#                                               0.468246
#  54  Xe 26   -0.004720        0.000551       -0.045338
#              -0.009713        0.002434       -0.008694
#               0.005064                        0.230184
#  55  Cs  1        ==         -0.000559        0.038212
#                                               0.296896
#                                              -0.000603
#  55  Cs  9   -0.006144       -0.000603        0.001025
#               0.004176                        0.004149
#                                               0.003021
#  56  Ba  2        ==         -0.000328        0.002321
#                                              -0.044062
#                                              -0.001187
#  56  Ba 10   -0.003844        0.000382       -0.003215
#               0.003469                        0.009349
#                                               0.003326
#  57  La  3    NA
#  57  La 11   -0.004074        0.000430       -0.006063
#               0.003935        0.000328        0.030655
#                                               0.000358
#                                               0.002292
#  57  La 29    NA
#  58  Ce  4    NA
#  58  Ce 12    0.006572       -0.000986       -0.005229
#              -0.007443       -0.000436       -0.029336
#                                              -0.001848
#                                               0.011924
#  58  Ce 30    0.002963       -0.002831       -0.001768
#               0.027773       -0.000804        0.006298
#              -0.003617       -0.000162        0.004347
#              -0.004559                        0.016534
#               0.005064
#
#  59  Pr  5    NA
#  59  Pr 13   -0.003252        0.000609       -0.001964
#               0.004449        0.000313        0.017726
#                                               0.000613
#                                               0.003952
#  59  Pr 31    NA
#  60  Nd  6    NA
#  60  Nd 14    0.003696       -0.000380       -0.002369
#              -0.000909        0.000282       -0.002832
#                                               0.035434
#                                               0.004187
#  60  Nd 32    NA
#  61  Pm  7    NA
#  61  Pm 15    0.002243       -0.000254       -0.000822
#               0.001190       -0.000254       -0.004214
#                                              -0.001996
#                                               0.003560
#  61  Pm 33    NA
#  62  Sm  8    NA
#  62  Sm 16    0.003302       -0.001286       -0.001824
#              -0.019216       -0.000372        0.001404
#                                               0.018515
#                                               0.004062
#  62  Sm 34    NA
#  63  Eu  9    NA
#  63  Eu 17    0.003594       -0.000510       -0.000823
#              -0.004206       -0.000322       -0.000950
#                                              -0.002684
#                                               0.002971
#  63  Eu 35    NA
#  64  Gd 10    NA
#  64  Gd 18   -0.004137        0.000725       -0.000286
#               0.005552        0.000467       -0.011164
#                                              -0.000684
#                                               0.003311
#  64  Gd 36    NA
#  65  Tb 11    NA
#  65  Tb 19   -0.000391       -0.000144        0.000221
#               0.002977        0.000243       -0.003494
#                                              -0.002214
#                                               0.002011
#  65  Tb 37    NA
#  66  Dy 12    NA
#  66  Dy 20    0.003924       -0.000584       -0.000606
#              -0.005329       -0.000327       -0.003042
#                                               0.000885
#                                               0.002499
#  66  Dy 38    NA
#  67  Ho 13    NA
#  67  Ho 21    0.003097       -0.000361       -0.000537
#              -0.003662       -0.000304        0.006605
#                                              -0.003477
#                                               0.001969
#  67  Ho 39    NA
#  68  Er 14    NA
#  68  Er 22    0.003368       -0.000491       -0.000562
#              -0.004974       -0.000301        0.002238
#                                              -0.000709
#                                               0.002021
#  68  Er 40    NA
#  69  Tm 15    NA
#  69  Tm 23    0.003916       -0.000883       -0.001627
#              -0.008194       -0.000373       -0.013357
#                                              -0.008277
#                                               0.002625
#  69  Tm 41    NA
#  70  Yb 16    NA
#  70  Yb 24   -0.003757        0.000872       -0.000721
#               0.008528        0.000336       -0.001946
#                                               0.009849
#                                               0.001452
#  70  Yb 42    NA
#  71  Lu 17    NA
#  71  Lu 25    0.004166       -0.000660        0.000392
#              -0.004972       -0.000499       -0.007655
#                                               0.000664
#                                               0.001040
#  71  Lu 43    NA
#  72  Hf  4    NA
#  72  Hf 12    0.003574       -0.000471        0.003477
#              -0.003441       -0.000412       -0.016515
#                                              -0.000227
#                                              -0.007561
#  73  Ta  5        ==         -0.000601        0.019197
#                              -0.000471       -0.003251
#                                               0.002878
#                                              -0.028969
#  73  Ta 13    0.005680       -0.001299       -0.000395
#              -0.005547       -0.000822        0.002281
#                                              -0.000068
#                                              -0.003711
#  74  W   6        ==          0.000324       -0.000619
#                              -0.000319        0.002962
#                                               0.012539
#                                               0.008553
#  74  W  14    0.004132       -0.000620        0.000020
#              -0.003152       -0.000525       -0.003665
#                                              -0.000733
#                                              -0.003266
#  75  Re  7        ==         -0.000431        0.020416
#                              -0.000375       -0.037628
#                                               0.002366
#                                              -0.008777
#  75  Re 15    0.004577       -0.000706       -0.000018
#              -0.003949       -0.000583       -0.008407
#                                              -0.001029
#                                              -0.002482
#  76  Os  8        ==         -0.000389        0.014315
#                              -0.000349       -0.030280
#                                               0.001110
#                                               0.002051
#  76  Os 16    0.004275       -0.000524        0.000132
#              -0.003649       -0.000450       -0.006305
#                                              -0.001272
#                                              -0.002290
#  77  Ir  9        ==         -0.000321        0.011175
#                              -0.000308       -0.003001
#                                               0.003640
#                                              -0.002230
#  77  Ir 17    0.003310       -0.000375        0.000193
#              -0.003092       -0.000362       -0.018359
#                                              -0.001725
#                                              -0.002626
#  78  Pt 10        ==         -0.000354        0.008314
#                              -0.000377       -0.040502
#                                               0.001710
#                                              -0.004397
#  78  Pt 18    0.001910       -0.000307       -0.000859
#              -0.002500       -0.000311       -0.008798
#                                               0.001406
#                                               0.000830
#  79  Au  1        ==         -0.000377        0.205093
#                                              -0.002909
#                                              -0.046688
#                                               0.142201
#  79  Au 11        ==         -0.000312        0.007222
#                              -0.000307        0.002827
#                                               0.002562
#                                              -0.000589
#  79  Au 19    0.004710       -0.000499       -0.000547
#              -0.002763       -0.000421       -0.042408
#                                               0.001579
#                                              -0.000201
#  80  Hg  2        ==         -0.000330        0.085887
#                                              -0.002334
#                                               0.003287
#                                               0.059302
#  80  Hg 12        ==         -0.000330       -0.001932
#                              -0.000320       -0.000152
#                                               0.004536
#                                               0.002584
#  80  Hg 20    0.003732       -0.000468        0.003885
#               0.003964       -0.000379       -0.085035
#                                              -0.001557
#                                              -0.009146
#  81  Tl  3        ==         -0.000312        0.027552
#                              -0.000334        0.032291
#                                              -0.002982
#                                               0.009464
#  81  Tl 13   -0.003148        0.000100       -0.002438
#                               0.000302       -0.005882
#                                               0.009288
#                                               0.005360
#  81  Tl 21    0.003965       -0.000454       -0.001196
#               0.001813       -0.000448       -0.001131
#              -0.010391                        0.009579
#                                              -0.000392
#  82  Pb  4        ==         -0.000321        0.009541
#                              -0.000445        0.030007
#                                              -0.031446
#                                              -0.011825
#  82  Pb 14   -0.003532       -0.000305       -0.003911
#                              -0.000327       -0.002726
#                                               0.010922
#                                               0.006764
#  82  Pb 22   -0.003351        0.000391       -0.004650
#              -0.003307        0.000598       -0.011131
#               0.007247                        0.030224
#                                               0.008295
#  83  Bi  5        ==         -0.000340        0.004758
#                              -0.000471        0.015282
#                                              -0.061911
#                                              -0.004838
#  83  Bi 15    0.006094        0.000466       -0.004239
#                               0.000702       -0.005257
#                                               0.018459
#                                               0.011932
#  83  Bi 23    0.003381        0.000339       -0.006890
#              -0.001311        0.000457       -0.021222
#               0.003877                        0.071387
#                                               0.028060
#  84  Po  6        ==          0.000330        0.015146
#                               0.000535       -0.013089
#                                               0.002954
#                                               0.024142
#  84  Po 16    0.003739        0.000316       -0.002441
#                               0.000526       -0.017029
#                                               0.056299
#                                               0.030762
#  84  Po 24    0.004617       -0.000345       -0.014258
#               0.001384        0.000396       -0.030976
#              -0.003386                        0.125979
#                                               0.052873
#  85  At  7        ==          0.000303        0.006074
#                               0.000340       -0.003108
#                                               0.004654
#                                               0.030570
#  85  At 17    0.003967        0.000328       -0.006574
#                               0.000683       -0.019807
#                                               0.103636
#                                               0.045350
#  85  At 25    0.003529        0.000223       -0.016768
#              -0.006389        0.001553       -0.040748
#               0.005507                        0.213387
#                                               0.086837
#  86  Rn  8        ==          0.000310        0.005972
#                               0.000358       -0.003796
#                                               0.007698
#                                               0.034752
#  86  Rn 18    0.003827        0.000360        0.013156
#                               0.000733       -0.033394
#                                               0.200357
#                                               0.072574
#  86  Rn 26    0.004974        0.000232       -0.015765
#              -0.006224        0.001247       -0.058304
#               0.001200                        0.350505
#                                               0.133822
#
########################################################################################
H GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.20059317301776       2   -4.17806832477260    0.72440924243368
       0

He GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    0.20022404942891       2   -9.12178553908842    1.70270770000000
       0

Li GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.76670177870108       2   -1.90296655278366    0.34217351327808
       2
    0.66601257185493       1    1.73677711010090
    1.08507379195620       1   -0.01539384864460

Li GTH-PBE-q3 GTH-GGA-q3
    3    0    0    0
    0.39974689389843       4  -14.08569603396104    9.62527816589569   -1.78397425699384    0.08536639361994
       0

Be GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    0.73814227485959       2   -2.58105277727435    0.36778122185676
       2
    0.52787019040905       1    3.05281309477106
    0.65423128270096       1    0.09529367235766

Be GTH-PBE-q4 GTH-GGA-q4
    4    0    0    0
    0.32500000    4   -24.06746684    17.27902186    -3.33910629     0.16554912
       0

B  GTH-PBE-q3 GTH-GGA-q3
    2    1    0    0
    0.41933997587890       2   -5.86191229508319    0.90121832386465
       1
    0.37142700710605       1    6.29549660750693

C  GTH-PBE-q4 GTH-GGA-q4
    2    2    0    0
    0.33855479630051       2   -8.80455195420776    1.33837678314185
       1
    0.30260967537284       1    9.62286249628669

N  GTH-PBE-q5 GTH-GGA-q5
    2    3    0    0
    0.28382600053810       2  -12.41517350030142    1.86813618209744
       1
    0.25541754972811       1   13.63124869974610

O  GTH-PBE-q6 GTH-GGA-q6
    2    4    0    0
    0.24446328480160       2  -16.67548222363837    2.48908598241780
       1
    0.22097110943471       1   18.33446866406285

F  GTH-PBE-q7 GTH-GGA-q7
    2    5    0    0
    0.21479316936968       2  -21.58300901453493    3.20216220386167
       1
    0.19468879402416       1   23.74521662930821

Ne GTH-PBE-q8 GTH-GGA-q8
    2    6    0    0
    0.19013599957922       2  -27.11394809602904    4.36380616652624
       2
    0.17606810618356       2   28.17757050106910    0.83365740579601
                                                   -1.07616503335814
    0.19546571702831       1   -0.23610573844687

Na GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.87948364241558       1   -1.16444467445039
       2
    0.67053579706433       2    1.86827773481150   -0.22540116228205
                       0.63725384210554
    0.86099184094473       1    0.61384869795326

Na GTH-PBE-q9 GTH-GGA-q9
    3    6    0    0
    0.23296140238087       2    0.43081460447765   -0.17323684620337
       2
    0.13516234623340       1   34.49180830194931
    0.13741951518736       1  -14.19565216137256

Mg GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    0.59977148569510       1   -2.41739276569489
       2
    0.59524672582273       2    3.46450483750071   -0.80186245274095
                                                    1.01297251625241
    0.70813457640161       1    0.82842564940260

Mg GTH-PBE-q10 GTH-GGA-q10
    4    6    0    0
    0.19268680878649       2  -20.56735568413243    3.01468273390367
       2
    0.14143376289344       1   41.04421929517378
    0.10299829256128       1   -9.98068177850598

Al GTH-PBE-q3 GTH-GGA-q3
    2    1    0    0
    0.45000971106835       1   -7.55644997237063
       2
    0.48744057136206       2    6.96008533256047   -1.88883535944668
                                                    2.43848344694845
    0.56227366274780       1    1.86536320212543

Si GTH-PBE-q4 GTH-GGA-q4
    2    2    0    0
    0.43998262317118       1   -6.26927043053227
       2
    0.43563454498612       2    8.95185227086162   -2.70627090617658
                                                    3.49378652994003
    0.49795764581723       1    2.43127675905050

P  GTH-PBE-q5 GTH-GGA-q5
    2    3    0    0
    0.43012669649143       1   -5.86287518298666
       2
    0.39637888452875       2   11.00906770730470   -3.47035684155994
                                                    4.48022986756746
    0.44829365978602       1    3.05605781307263

S  GTH-PBE-q6 GTH-GGA-q6
    2    4    0    0
    0.42011499303898       1   -5.97478038621959
       2
    0.36482480920276       2   13.14466044740433   -4.24182995427252
                                                    5.47617796846414
    0.40947908948436       1    3.70086987060604

Cl GTH-PBE-q7 GTH-GGA-q7
    2    5    0    0
    0.41014709847563       1   -6.37852110217338
       2
    0.33955269964986       2   15.21928658839746   -4.93452228977013
                                                    6.37068300920447
    0.37848905310802       1    4.33859776816808

Ar GTH-PBE-q8 GTH-GGA-q8
    2    6    0    0
    0.40003082668805       1   -7.08796199095755
       2
    0.31882882990174       2   17.25258480082010   -5.58549698978039
                                                    7.21031819907047
    0.35335630753415       1    4.97482100660240

K GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.88722884833470       1    0.08373423591225
       3
    0.94971038525934       3    0.98879700511619   -0.13629828078028   -0.08734580737815
                                                    0.37778539009613    0.16924238773675
                                                                       -0.24335085663540
    1.06916971969736       2    0.59090469523362    0.00493894963263
                                                    0.05388072940928
    0.70763615084682       1   -1.55304192758320

K GTH-PBE-q9 GTH-GGA-q9
    3    6    0    0
    0.37828551225159       2   -3.35932360613487   -1.19680769644375
       2
    0.30609406114341       2   17.85061720191024   -5.62264552139477
                                                    7.23207571392262
    0.31654876141502       2    7.33295925178235   -2.46094539979815
                                                    2.90598721866541

Ca GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    0.75330462004884       1    0.02000246308592
       3
    0.65216038559348       3    1.39782491262943   -0.49000089408343   -0.10999857809682
                                                    2.25940078539554   -0.05000056552352
                                                                        0.33008550759414
    0.96768735856317       2    0.69989641675392   -0.12014940887741
                                                    0.21760396969090
    0.53033437839286       1   -2.91998813835762

Ca GTH-PBE-q10 GTH-GGA-q10
    4    6    0    0
    0.36524646201469       2   -4.18040066698547   -1.68878492024640
       3
    0.28988798370645       2   20.50114819545028   -7.12978488930349
                                                    9.14328142165610
    0.32689189928945       2    5.80289305812489   -0.42875330696042
                                                    0.48639233785097
    0.67993690959315       1    0.05846459767069

Sc GTH-PBE-q3 GTH-GGA-q3
    2    0    1    0
    0.77912755392708       1    0.00432469165328
       3
    0.60897869255682       3    2.16638526423116   -0.72072479891363    0.31890291565769
                                                    1.98055690804906   -0.88611134963174
                                                                        1.42600811844169
    0.87442034419543       2    0.91732520876573   -0.11845350305796
                                                    0.24886446154811
    0.45270302248157       1   -3.87255394376862

Sc GTH-PBE-q11 GTH-GGA-q11
    4    6    1    0
    0.38468370724826       2    8.11021422529787   -0.53385195979165
       3
    0.34957207498001       2    2.50174144479574    3.02108748442901
                                                   -3.57655528595616
    0.24663487595765       2   -2.65589463341298    7.99214104195327
                                                   -9.47619020823247
    0.25330865162908       1   -8.16623763981319

Ti GTH-PBE-q4 GTH-GGA-q4
    2    0    2    0
    0.72849445069575       0
       3
    0.53876219749444       3    1.79427386645362   -0.58036244719163    0.86213743651012
                                                    1.64506524494836   -2.31298147811530
                                                                        3.71228196294835
    0.78078513892929       2    0.99713629932609   -0.04672827160028
                                                    0.32080049030590
    0.40814178518960       1   -4.75486526231710

Ti GTH-PBE-q12 GTH-GGA-q12
    4    6    2    0
    0.38097286357879       2    8.68659831152899   -0.68774118621651
       3
    0.32537371252881       2    2.47579655275489    3.69297477008464
                                                   -4.47929414987791
    0.25088595622319       2   -4.62011226709455    8.87087644821252
                                                  -10.49595666492710
    0.24351373245092       1   -9.41083076269157

V GTH-PBE-q5 GTH-GGA-q5
    2    0    3    0
    0.69525124189744       0
       3
    0.52418731298007       3    2.17609502873216   -0.73573925722926    0.73159193678421
                                                    1.91547484231068   -1.93302663938479
                                                                        3.09738075573768
    0.75712756765275       2    1.10636980705172   -0.13626875002972
                                                    0.33272695852734
    0.37308269321880       1   -5.83186449664165

V GTH-PBE-q13 GTH-GGA-q13
    4    6    3    0
    0.37641872504943       2    7.47748881401041   -0.35387469725804
       3
    0.31505477601889       2    1.84650553894107    4.72569292609974
                                                   -5.76080373467499
    0.25541695900759       2   -5.96409544523639    9.35863892152170
                                                  -11.05915081773653
    0.24209171586454       1   -9.49854318810419

Cr GTH-PBE-q6 GTH-GGA-q6
    2    0    4    0
    0.63771829092812       0
       3
    0.50537323427688       3    2.10965107631946   -0.87519311034307    0.72676470347484
                                                    2.09720927614102   -1.85216954950645
                                                                        3.04994899970671
    0.72658081117929       2    1.15217309501127   -0.10303070503729
                                                    0.29087738509729
    0.34788934398077       1   -6.61655108472874

Cr GTH-PBE-q14 GTH-GGA-q14
    3    6    5    0
    0.37957575700376       2    5.69678153987886   -0.68352736878977
       3
    0.30439697116494       2    2.62564157895966    4.97446376305941
                                                   -6.00479573769163
    0.27402405337043       2   -4.47957335909451    7.33141313978583
                                                   -8.69275021375262
    0.22072040293475       1  -11.19814856719992

Mn GTH-PBE-q7 GTH-GGA-q7
    2    0    5    0
    0.62851420659332       0
       3
    0.48235787101555       3    2.91686740228750   -0.94567027463558    0.61777123925249
                                                    2.67722080739756   -1.61347405645347
                                                                        2.68148614513462
    0.66873290549590       2    1.35307742734326   -0.10970410454644
                                                    0.40037832497734
    0.32634819424635       1   -7.80544463496730

Mn GTH-PBE-q15 GTH-GGA-q15
    4    6    5    0
    0.36641590922752       2    6.13970150379342   -0.36299774012937
       3
    0.28640937605397       2    1.72800853849084    6.35684048598293
                                                   -7.85279837367807
    0.26076415374724       2   -6.46639876623956    7.98335919129245
                                                   -9.45213821969616
    0.22306533503374       1  -11.61725556786636

Fe GTH-PBE-q8 GTH-GGA-q8
    2    0    6    0
    0.59578850974080       1    0.16043266015033
       3
    0.45708850300757       3    3.28795514212277   -1.01066080718626    0.78740540871188
                                                    2.67805610338415   -2.03777744650135
                                                                        3.28627319626836
    0.63922887323798       2    1.54380725058909   -0.09985698097411
                                                    0.33708086116139
    0.30621323095055       1   -9.14944579471234

Fe GTH-PBE-q16 GTH-GGA-q16
    4    6    6    0
    0.35995327161394       2    6.77089340472311   -0.19302363970878
       3
    0.27176718262559       2    0.57493731608079    7.91313536575066
                                                  -10.00782096686501
    0.25503930918596       2   -7.89264568445203    7.69707832352137
                                                   -9.14331139080110
    0.22321053924521       1  -12.41029471698018

Co GTH-PBE-q9 GTH-GGA-q9
    2    0    7    0
    0.57943736410949       1    0.05364026453786
       3
    0.44175810680900       3    4.61783993439988   -1.11916719208077    0.75294807659787
                                                    3.01346689732754   -1.94675569507083
                                                                        3.10450025328115
    0.60516629061511       2    1.89222262032973   -0.05539670262238
                                                    0.29461147660676
    0.29221589799741       1  -10.16466956228796

Co GTH-PBE-q17 GTH-GGA-q17
    4    6    7    0
    0.35394391509658       2    4.79914343273141    0.49324305254081
       3
    0.26758094349957       2   -0.61124316998119    9.28629490076142
                                                  -11.64931705150696
    0.27295847106250       2   -6.84426538374141    5.68013248395456
                                                   -6.72465867253893
    0.22314315998922       1  -12.34819834673898

Ni GTH-PBE-q10 GTH-GGA-q10
    2    0    8    0
    0.55633475150408       1    0.06249378441123
       3
    0.42687168740420       3    4.14215164827567   -1.19903864204570    0.73987741484715
                                                    3.16883300703883   -1.90684143876025
                                                                        3.08790374530400
    0.58367795377589       2    1.84151768519395   -0.12064189635500
                                                    0.39042515168315
    0.27829223230779       1  -11.39393621839353

Ni GTH-PBE-q18 GTH-GGA-q18
    4    6    8    0
    0.34939834379447       2    2.08510336589903    0.67020363652443
       3
    0.25550104120769       2    0.50560390405719    9.97022948448951
                                                  -12.57514455312280
    0.22820359935637       2  -11.13219934804302   12.42956606153426
                                                  -14.78471118703100
    0.21572227658296       1  -12.63218752117774

Cu GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.28485090542008       0
       3
    0.63531327881367       3    2.28375468923105    0.07487471304439   -0.22865813166883
                                                   -0.32072825966471    0.62563399412009
                                                                       -1.10906726720317
    0.91843601197723       2   -0.03339843367173    0.20062767366812
                                                   -0.38029790710277
    1.24671733484621       1   -0.10304407843270

Cu GTH-PBE-q11 GTH-GGA-q11
    2    0    9    0
    0.52782421276330       0
       3
    0.43181572668166       3    9.70218785153882   -6.47017476933493    1.93596474249715
                                                   11.49082962684827   -4.99861677145424
                                                                        3.99192984029648
    0.56225402421822       2    2.54391715302876   -0.78463413975499
                                                    0.92856354506234
    0.26333080209316       1  -12.83433142086708

Cu GTH-PBE-q19 GTH-GGA-q19
    3    6   10    0
    0.34499625363794       2    0.10086388399218    1.24925310863333
       3
    0.25019014141848       2    0.72978836909448   10.73582137323767
                                                  -13.85137770341810
    0.22194906864706       2  -13.05694680536805   14.74763821671295
                                                  -17.44758309915315
    0.21558044787847       1  -12.45708701130146

Zn GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    0.16301201005045       1    0.00659329927906
       3
    0.63389457613057       3    2.04377060996084    0.07481390962286   -0.22861175630538
                                                   -0.16680185885283    0.62560878720243
                                                                       -0.92977012552955
    0.98812221207300       2   -0.07145965539870    0.27370265305367
                                                   -0.33224013343900
    1.32601004589744       1    0.01885191709808

Zn GTH-PBE-q12 GTH-GGA-q12
    2    0   10    0
    0.50916713708677       0
       3
    0.40068744515277       3   11.47782158815348   -8.79188703733081    3.14507900374565
                                                   16.45310958575381   -8.12057360393503
                                                                        6.44596685823075
    0.54253086895414       2    2.59796569879727   -0.59408489961756
                                                    0.70405472163533
    0.25073469815384       1  -14.48477735428372

Zn GTH-PBE-q20 GTH-GGA-q20
    4    6   10    0
    0.34358706508270       2    0.56093333136770    1.23835650335747
       3
    0.23919228131527       2   -1.43872038767431   12.79313323867389
                                                  -16.34534071547276
    0.25110606950086       2   -9.72429581805999    8.07114298380265
                                                   -9.56351985283609
    0.20969324390486       1  -14.21148338568397

Ga GTH-PBE-q3 GTH-GGA-q3
    2    1    0    0
    0.56193621471906       0
       3
    0.56664782067932       3    2.24327404774109    1.03244726719470   -0.76062858677038
                                                   -2.58074081301156    1.96393660576806
                                                                       -1.55892848765136
    0.64723100560509       2    0.31242581148985    0.61341461218498
                                                   -0.72590137027430
    0.99152647252310       1    0.09376089070199

Ga GTH-PBE-q13 GTH-GGA-q13
    2    1   10    0
    0.49000018487159       0
       3
    0.41677483095310       3   10.48679119269639   -4.92176814704009    0.87070493953275
                                                    7.77018207637078   -2.24815160599927
                                                                        1.78441528219626
    0.56962661099353       2    1.77860037827899    0.19586036552562
                                                   -0.23168154587648
    0.23814730101676       1  -16.24818353736915

Ga GTH-PBE-q21 GTH-GGA-q21
    4    7   10    0
    0.34056019283947       3    0.72373730232072    1.22666214951656   -0.01693372942985
       3
    0.23632377329372       2   -1.09226517983196   12.79313346239985
                                                  -16.89773879118302
    0.24245539809036       2  -10.30317914806399    8.07114378779386
                                                   -9.57904678972557
    0.20947587239820       1  -14.18734973864090

Ge GTH-PBE-q4 GTH-GGA-q4
    2    2    0    0
    0.54044322442644       0
       3
    0.42186518805788       3    7.51023955985005   -0.58810803073412   -1.44797581748367
                                                   -1.59588929848250    3.73865689176280
                                                                       -2.96747742430949
    0.56759893389960       2    0.91388136790900    0.54687584132299
                                                   -0.64703371806713
    0.81395231895643       1    0.19717233173825

Ge GTH-PBE-q14 GTH-GGA-q14
    2    2   10    0
    0.49048763924252       0
       3
    0.40713550965428       3   10.43358583992597   -4.92175199524718    0.87071493967033
                                                    7.70995813501422   -2.24818591617218
                                                                        1.72600081169637
    0.56425120620557       2    1.67198754866820    0.19583418705540
                                                   -0.28410108265662
    0.23832594536767       1  -16.45474963370721

Ge GTH-PBE-q22 GTH-GGA-q22
    4    8   10    0
    0.32426008814903       2    0.45815258149353    1.40293912195644
       3
    0.23602813586074       2   -0.99057093412416   12.79313802319590
                                                  -16.90172191656416
    0.23222489280467       2  -10.11018144924428    8.07114482665335
                                                   -9.68914581959051
    0.20706705536723       1  -13.90253871206683

As GTH-PBE-q5 GTH-GGA-q5
    2    3    0    0
    0.52057915638833       0
       3
    0.45555065904338       3    5.52084214284863    0.03512251760777   -1.06108244081564
                                                   -1.77117452304219    2.73970276540646
                                                                       -2.17455768115837
    0.55466054325102       2    1.02179727399366    0.62920826977111
                                                   -0.74448826753111
    0.70372111944410       1    0.31479065140615

As GTH-PBE-q15 GTH-GGA-q15
    2    3   10    0
    0.48740735710011       0
       3
    0.39540125112426       3   10.87125338912347   -4.92176557191123    0.87070246534256
                                                    7.95789639426865   -2.24814571557957
                                                                        1.51882118618092
    0.54611379099967       2    1.73972170491421    0.19585845065541
                                                   -0.33324932090160
    0.23903882026575       1  -16.56192414624962

As GTH-PBE-q23 GTH-GGA-q23
    4    9   10    0
    0.31115326963830       2    0.63912347692881    1.18453942711217
       3
    0.23794944680316       2   -0.98333815110947   12.79313551503090
                                                  -16.93288062203992
    0.22162623538570       2  -10.25035665282018    8.07114368379061
                                                   -9.57715383437246
    0.20212902388938       1  -14.07434158424169

Se GTH-PBE-q6 GTH-GGA-q6
    2    4    0    0
    0.51043991793442       0
       3
    0.43245998840836       3    6.51833166554326   -0.22271636569302   -1.19612927990445
                                                   -1.65795825623511    3.08839121879388
                                                                       -2.45131941777803
    0.47050486240343       2    2.28125966692975    0.36533517772229
                                                   -0.43228927118996
    0.62563043874748       1    0.43980038866710

Se GTH-PBE-q16 GTH-GGA-q16
    2    4   10    0
    0.46229605701732       0
       3
    0.37567180608343       3   10.55342851253368   -4.92178626887234    0.87071797252783
                                                    7.66757807399746   -2.24815270720015
                                                                        1.80814629121984
    0.52860315436431       2    1.70239472551350    0.19585922306109
                                                   -0.35942809828389
    0.23672672139195       1  -16.65409474871286

Se GTH-PBE-q24 GTH-GGA-q24
    4   10   10    0
    0.30582191622846       2    0.84598147703662    1.08612104353915
       3
    0.23761564043305       2   -0.60244532532663   12.79313768903830
                                                  -17.40682169593834
    0.21161057360921       2  -10.55698696624054    8.07114303840993
                                                   -9.69219166332010
    0.20936858029938       1  -12.68841150277752

Br GTH-PBE-q7 GTH-GGA-q7
    2    5    0    0
    0.50043989866287       0
       3
    0.43803903073908       3    6.07875611887611    0.33049815877084   -1.23838211867381
                                                   -2.44088400076125    3.19748911625184
                                                                       -2.53792839112037
    0.45313593209634       2    2.45929974384269    0.52275298494798
                                                   -0.61854396890017
    0.56777130229371       1    0.55927379795671

Br GTH-PBE-q17 GTH-GGA-q17
    2    5   10    0
    0.45492025149343       0
       3
    0.38680615775690       3   10.38693854014457   -4.92176738823530    0.87070365629107
                                                    7.66786304951851   -2.24814483309535
                                                                        1.29241125812045
    0.51099980696354       2    1.60353242934589    0.19586004264987
                                                   -0.38034728755126
    0.24062384786163       1  -16.44927141362806

Br GTH-PBE-q25 GTH-GGA-q25
    4   11   10    0
    0.29921191775309       2    0.55856215921888    1.09794711402085
       3
    0.24463998612322       2   -0.57092801883890   12.79314051072386
                                                  -18.25342795518480
    0.19682124346750       2  -11.41896762253891    8.07114243396775
                                                   -9.93461325543692
    0.20689989579268       1  -13.32262222694512

Kr GTH-PBE-q8 GTH-GGA-q8
    2    6    0    0
    0.50029677851914       0
       3
    0.42164479069135       3    6.46530260080934    0.53866315340543   -1.50260304552319
                                                   -3.13841476886350    3.87970026726119
                                                                       -3.07933983928845
    0.43375888856227       2    2.60158915168305    0.70510980573326
                                                   -0.83424940295799
    0.52471354156774       1    0.63559427120043

Kr GTH-PBE-q18 GTH-GGA-q18
    2    6   10    0
    0.44283351416393       0
       3
    0.37498619255387       3   10.29768715135108   -4.92178158705142    0.87071670990239
                                                    7.68803378783273   -2.24815502179914
                                                                        1.36612342081864
    0.45452715282192       2    1.94864433212599    0.19585898400657
                                                   -0.29116734051549
    0.23920896269267       1  -16.84038164550523

Kr GTH-PBE-q26 GTH-GGA-q26
    4   12   10    0
    0.29983395786882       2    0.85639033372828    0.68050470599905
       3
    0.22188041674934       2   -0.64740359304452   12.79313016242415
                                                  -17.96335149754928
    0.33078415220877       2  -10.12901998967878    8.07114425350751
                                                   -9.42192824220601
    0.20276871184607       1  -14.20140779076488

Rb GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.63689306849364       2    3.23080049113030   -0.68242189155741
       3
    0.88854216274913       3    0.91707984802043   -0.34894564989212    0.03117962507730
                                                    0.85987125436084   -0.06145663690533
                                                                        0.00652913983715
    1.06996123548427       2    0.50721119108275    0.27503401647877
                                                    0.08738150428601
    0.73522704475095       1   -1.40598944811752

Rb GTH-PBE-q9 GTH-GGA-q9
    3    6    0    0
    0.48617429947803       2    5.70296411330651   -0.71170209156024
       3
    0.28150513546306       2   21.34091101655960   -8.07865928422600
                                                   10.38840636928863
    0.28490138562562       2   12.23050595592432  -12.19854525718927
                                                   14.41342556082242
    0.54202635836156       1    0.34111664445815

Sr GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    1.01446022103462       2    0.73953130663516    0.03124335032110
       3
    0.82544576234338       3    1.32020194683487   -0.37365874186060   -0.07744437119347
                                                    0.97904263951649    0.20317080749180
                                                                       -0.27894957127387
    1.14954108568269       2    0.42263652908224    0.01103404803975
                                                    0.07751856336875
    0.75163967128643       1   -1.42056039135428

Sr GTH-PBE-q10 GTH-GGA-q10
    4    6    0    0
    0.47765168107551       2    6.82227201993620   -1.00236824791386
       3
    0.27304665035246       2   21.28863616643056   -7.89903409038538
                                                   10.13240059632678
    0.27680021499500       2   11.70899498697911  -10.96577696002774
                                                   12.96957717928967
    0.52105240777773       1    0.31142257640518

Y GTH-PBE-q3 GTH-GGA-q3
    2    0    1    0
    0.60330579986717       2   -1.12368365372296    0.15712181135359
       3
    0.79614458696060       3    1.53222297591655   -0.58196125995729   -0.06609031247109
                                                    1.33345625972222    0.15854691038783
                                                                       -0.11433726933814
    0.92366982100853       2    0.86880041134544   -0.13389669505298
                                                    0.49249699651634
    0.66916658091299       2   -1.03745615978968    0.08363380242947
                                                   -0.10527385730875

Y GTH-PBE-q11 GTH-GGA-q11
    4    6    1    0
    0.47521249763118       3   12.16506643766797   -2.10060665355339    0.00092125791721
       3
    0.24381612936440       2   23.00359309238451   -8.32539402036272
                                                   10.41630594484528
    0.29006447645718       2    5.87600484526030   -5.85235251565819
                                                    6.80606382880322
    0.41264211296275       2    1.17831285866111   -1.31883853289000
                                                    1.48214304799188

Zr GTH-PBE-q4 GTH-GGA-q4
    2    0    2    0
    0.67195264503313       2   -0.66196615075389    0.07967517679525
       3
    0.66519265915690       3    1.35879681094882   -0.94499414517334    0.29585569638253
                                                    2.39647525239810   -0.76600380493834
                                                                        1.21716684721277
    0.87818694944985       2    1.02423406678246   -0.15074262205156
                                                    0.48917244195275
    0.62829314423571       2   -1.17263353466033   -0.08924352015861
                                                    0.21216837108555

Zr GTH-PBE-q12 GTH-GGA-q12
    4    6    2    0
    0.47694641755903       2    7.79742523092310   -1.67709779189654
       3
    0.25756497421804       2   23.36396378383548   -8.57193367896036
                                                   10.81667532812854
    0.28360599528353       2    8.58671920915688   -5.37735478370672
                                                    6.33778986620046
    0.56758608564471       2    0.02520195025966    0.27685105730968
                                                   -0.31987782708566

Nb GTH-PBE-q5 GTH-GGA-q5
    1    0    4    0
    0.72641918962912       2    4.14106248617274    0.00357598654458
       3
    0.69891996314864       2    1.90328354945872   -0.55864923741884
                                                    1.67173662289696
    0.88645850657858       2    0.38131647297340   -0.24864106879715
                                                    0.64041079111743
    0.51036116722418       2   -2.93084925715588    0.75587118649239
                                                   -1.61688362539465

Nb GTH-PBE-q13 GTH-GGA-q13
    3    6    4    0
    0.46193928874717       2   26.35584454359010   -4.54235040071825
       3
    0.32679009798213       2   -1.16268926041311    3.27790484775008
                                                   -4.28143271802370
    0.40477619119613       2   -0.65418650633667   -0.90782841851359
                                                    1.07487290473565
    0.42216961872906       2    1.49420794704508   -3.43004011345955
                                                    3.88772884167724

Mo GTH-PBE-q6 GTH-GGA-q6
    1    0    5    0
    0.70751965380139       2    8.29912376883703    0.02609392015970
       3
    0.68410384437725       2    2.11416206378849   -0.38826807694860
                                                    1.04194179113593
    0.81789900417548       2    0.57179451058935   -0.48948763505326
                                                    0.89909434651727
    0.45676908245730       2   -2.76643657366827    3.00196564323060
                                                   -6.84595895801770

Mo GTH-PBE-q14 GTH-GGA-q14
    3    6    5    0
    0.43269124607222       2   28.60142253087497   -4.72827637244981
       3
    0.31953693634010       2    0.15423252170296    2.76200531525828
                                                   -3.51903678061458
    0.41717169738306       2   -0.19100103205484   -0.72874389681268
                                                    0.86195275686485
    0.42055432980468       2    1.21684009942749   -2.68646280475183
                                                    3.04611542415121

Tc GTH-PBE-q7 GTH-GGA-q7
    1    0    6    0
    0.67756482171879       2   13.40090675489035    0.10065547897253
       3
    0.70813904970649       2    0.56640589338212   -0.16897088514484
                                                    0.36192875907713
    0.75990690531598       2    0.14748908682520   -0.24580728444020
                                                    0.66691696069850
    0.52027157688995       2   -6.10523157398345   -0.32714048928303
                                                    0.74316009397008

Tc GTH-PBE-q15 GTH-GGA-q15
    3    6    6    0
    0.43721644512346       2   27.29653397796867   -4.72552670391573
       3
    0.32615666058292       2   -0.41968478854666    3.34056628892645
                                                   -4.31833760633481
    0.42313510239602       2   -0.23350345030063   -0.82215007246801
                                                    0.93080903296711
    0.43205840758083       2    1.21880484304639   -2.67400907752671
                                                    3.03147583196623

Ru GTH-PBE-q8 GTH-GGA-q8
    1    0    7    0
    0.60000190027446       1    5.05877566801456
       3
    0.64475668404971       2    4.59143698427862   -1.80336607154804
                                                    2.33573812717903
    0.67926469158863       2    3.27650214754184   -2.42085673333752
                                                    2.86478680051275
    0.37702277205850       2  -15.45245535839625   13.58045062730738
                                                  -15.39865009535925

Ru GTH-PBE-q16 GTH-GGA-q16
    3    6    7    0
    0.43918441441272       2   26.81649010551282   -4.89670391867530
       3
    0.33699359194146       2   -0.53432109769172    3.71548972760564
                                                   -4.79651890252907
    0.42862783168872       2    0.07418691281860   -1.27757217669527
                                                    1.44020483116818
    0.43845680703130       2    1.50938983158373   -2.94305410943573
                                                    3.33766821736919

Rh GTH-PBE-q9 GTH-GGA-q9
    1    0    8    0
    0.61316528988742       1    4.83859490360715
       3
    0.61492085930806       2    5.13199189702454   -1.92978657357087
                                                    2.53531730212539
    0.69634093447058       2    2.58717998283200   -1.27956597824105
                                                    1.51565967632924
    0.37010737388780       2  -16.80233566289733   14.71821595241845
                                                  -16.64656924227315

Rh GTH-PBE-q17 GTH-GGA-q17
    3    6    8    0
    0.43435196037636       2   26.14714887801139   -5.03996588212625
       3
    0.32491593050640       2   -0.45499896222467    3.89280468032693
                                                   -4.99846661896745
    0.37934932517191       2   -0.94080803780523   -0.00569621037169
                                                   -0.04938096202117
    0.43379385023691       2    1.57142666022752   -3.01216537417184
                                                    3.41367838075369

Pd GTH-PBE-q10 GTH-GGA-q10
    1    0    9    0
    0.60620697692932       1    5.33241885887155
       3
    0.59200291135758       2    5.43801173681127   -2.06239015907294
                                                    2.64379021132572
    0.66183830173192       2    2.79457399763169   -1.51016747162316
                                                    1.81232833284477
    0.43848795787732       2   -3.67731386223706   -0.80738913597020
                                                    0.81676488093884

Pd GTH-PBE-q18 GTH-GGA-q18
    2    6   10    0
    0.42084260775221       2   26.78788415811240   -5.01006317925506
       3
    0.31904501163841       2   -0.71765903953884    4.38486684371755
                                                   -5.59637764912603
    0.41680525150703       2   -0.04643789182114   -1.07795231204756
                                                    1.17936322086522
    0.44030428787752       2    1.62430750482450   -3.09368798866474
                                                    3.50188045227054

Ag GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.50884772933645       1   -0.53126023886345
       3
    0.86917506999526       3    0.74801841513039    0.12558074366849   -0.06394674435109
                                                   -0.47181808189646    0.24639425835488
                                                                       -0.34942658938819
    0.93516610403460       2    0.51381632168808    0.01594187876012
                                                   -0.35372585465702
    1.16632800319316       1   -0.06895972410336

Ag GTH-PBE-q11 GTH-GGA-q11
    1    0   10    0
    0.57261106306598       1   -0.09385803385303
       3
    0.52717234953960       3    9.59197051473697   -5.27424307477601    0.99704951215170
                                                    8.43011315537666   -2.57436731901903
                                                                        2.02769689464872
    0.62063433152651       2    3.90685516526208   -1.68549606211171
                                                    2.06129973086099
    0.39996164126406       2   -2.69173032638784   -0.43354834309660
                                                    0.39191108950052

Ag GTH-PBE-q19 GTH-GGA-q19
    3    6   10    0
    0.41063517147864       3   24.45695815826535   -4.05396300612107   -0.14256607373783
       3
    0.30953940588435       2    0.59751942915563    4.28491060455450
                                                   -5.54832982110327
    0.41842517991483       2   -0.19048469481842   -0.61441831484909
                                                    0.71191258307148
    0.45650210316138       2    1.74632837369010   -3.09368808411932
                                                    3.58199122475997

Cd GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    0.64093023883694       1   -0.31751076470940
       3
    0.82876270367481       3    1.21319009299125    0.12565474411281   -0.06401131108604
                                                   -0.42158990856548    0.24644053195073
                                                                       -0.34824113179812
    0.95659309173341       2    0.44864449111561    0.22067827346909
                                                   -0.46016964993141
    1.17421146097597       1    0.10526060260470

Cd GTH-PBE-q12 GTH-GGA-q12
    2    0   10    0
    0.55000014916168       1    3.63437384912810
       3
    0.49128675036894       3   10.16654350470183   -6.50695434902271    1.80457628739379
                                                   11.33578922824891   -4.65939709281301
                                                                        3.69827946048494
    0.59971049963034       2    4.01376053784337   -1.88394182894611
                                                    2.22909552480761
    0.37787244052321       2   -6.13702290143847    1.53571057086857
                                                   -1.74131925421731

Cd GTH-PBE-q20 GTH-GGA-q20
    4    6   10    0
    0.40075557811931       3   23.98222918348076   -4.19516831190092    0.00090956956100
       3
    0.32288091236491       2    0.75279445384681    4.28491019887773
                                                   -5.77391164670396
    0.40865422778661       2   -0.19422804072575   -0.61441735618862
                                                    0.65274423020079
    0.45560804396715       2    1.75138748768744   -3.09368793134230
                                                    3.50831229230002

In GTH-PBE-q3 GTH-GGA-q3
    2    1    0    0
    0.60961243200104       1    5.14227227954371
       3
    0.68425634832111       3    0.56242036705975    0.99900267728503   -0.48094072553461
                                                   -2.07202547430190    1.24178182590083
                                                                       -0.98562575212269
    0.76176138769862       2    0.10577721864609    0.42328557626182
                                                   -0.50097734216079
    1.15172866322380       1    0.11436112400527

In GTH-PBE-q13 GTH-GGA-q13
    2    1   10    0
    0.52993354955541       1    3.32488065782955
       3
    0.47949939313569       3   11.16240272580300   -6.57350900749623    1.50686364061574
                                                   10.93795866406970   -3.89070374273433
                                                                        3.08815175143900
    0.56993704255735       2    4.70112873862856   -2.21706225946605
                                                    2.62400751172658
    0.37706850008770       2   -4.00228599062278   -0.84012847449648
                                                    0.95261161779647

In GTH-PBE-q21 GTH-GGA-q21
    4    7   10    0  
    0.39618094949916       3   24.12916240883844   -4.27742952611917   -0.06847744668180
       3
    0.31944946499825       2    0.69080093529881    4.28491170705018
                                                   -5.73638816884464
    0.39748262110127       2   -0.16325670394477   -0.61441751335020
                                                    0.65695734396749
    0.45470078182874       2    1.75102591158690   -3.09368865011031
                                                    3.55965460909847

Sn GTH-PBE-q4 GTH-GGA-q4
    2    2    0    0
    0.60500000000003       1    6.27442191905600
       3
    0.56643732000000       3    1.57164411773465    1.47004117833081   -1.17857665077102
                                                   -3.81477012999935    3.04307192999850
                                                                       -2.41536346999667
    0.64205896910888       2    0.52689769000000    0.40325781074377
                                                   -0.47714106999951
    0.99094149595510       1    0.19914139000045

Sn GTH-PBE-q14 GTH-GGA-q14
    2    2   10    0
    0.51502107708476       1    3.16670648165947
       3
    0.47772368651705       3   11.00421227767944   -6.57350689046123    1.50686436284660
                                                   10.72002381055840   -3.89070823290583
                                                                        3.01437531961040
    0.55859231915375       2    4.63978965857727   -2.21706832399865
                                                    2.57356613175348
    0.37304414840032       2   -3.91810285452784   -0.84012793335581
                                                    0.95326188834208

Sn GTH-PBE-q22 GTH-GGA-q22
    4    8   10    0
    0.39149723398915       3   24.08309675776378   -4.55330180950720   -0.08561602975625
       3
    0.31964947423292       2    0.70666194302869    4.28491004849059
                                                   -5.74532867948864
    0.38542059707297       2   -0.13621592074297   -0.61441715308060
                                                    0.66342208232371
    0.45367156713481       2    1.75377326538359   -3.09368801902467
                                                    3.58774275085343

Sb GTH-PBE-q5 GTH-GGA-q5
    2    3    0    0
    0.58999979470812       1    7.93902140221844
       3
    0.55613638191086       3    1.43085258971511    1.26142607952191   -0.92323354402344
                                                   -3.13013426699289    2.38377814897866
                                                                       -1.89206627373718
    0.62283165585799       2    0.56147246674331    0.30484495316684
                                                   -0.36070008513226
    0.88948669176976       1    0.27086902636039

Sb GTH-PBE-q15 GTH-GGA-q15
    2    3   10    0
    0.50105990573830       1    3.38639852426743
       3
    0.47521840765032       3   11.19253484122695   -6.57350322380765    1.50686339282902
                                                   10.70034915728365   -3.89070937716313
                                                                        2.83727579315094
    0.53971785487079       2    4.66098042758325   -2.21706755096867
                                                    2.58544306211700
    0.37635769461183       2   -3.79372158661149   -0.84012857159923
                                                    0.95119868193459

Sb GTH-PBE-q23 GTH-GGA-q23
    4    9   10    0
    0.38550183512675       3   24.08740696291700   -4.50430538477145   -0.14955532413741
       3
    0.32445790668912       2    0.65442051961136    4.28491200272685
                                                   -5.81407209766335
    0.38236407682531       2   -0.16702894694908   -0.61441768971862
                                                    0.71727144410281
    0.44875824477378       2    1.76881450253706   -3.09368862576718
                                                    3.57329322831823

Te GTH-PBE-q6 GTH-GGA-q6
    2    4    0    0
    0.57499960827078       1    8.72368706012866
       3
    0.57492341611401       3    1.40181563132861    0.97877816269170   -0.48630683205186
                                                   -2.05456930974358    1.25563630639667
                                                                       -0.99662898245875
    0.58988946210054       2    0.76479340065912    0.32398561529281
                                                   -0.38334828055411
    0.81339084269600       1    0.34486817810557

Te GTH-PBE-q16 GTH-GGA-q16
    2    4   10    0
    0.50002760864247       1    3.77088955967699
       3
    0.47037849645565       3   11.00838142929151   -6.57351685804866    1.50687055464522
                                                   10.69363612733004   -3.89070860864174
                                                                        2.67189462259441
    0.51929266661508       2    4.57799170460327   -2.21706675404359
                                                    2.59620198139812
    0.38239304915294       2   -3.78459972596923   -0.84012761454724
                                                    0.81048712649009

Te GTH-PBE-q24 GTH-GGA-q24
    4   10   10    0
    0.38373986206666       3   23.94006003724759   -4.29377696571401   -0.34104443072761
       3
    0.32259236318803       2    0.74630685978462    4.28491323717400
                                                   -5.88760470623309
    0.34168624551925       2   -0.22902119187127   -0.61441712312379
                                                    0.67189864180243
    0.45435015159762       2    1.76534473040166   -3.09368786458657
                                                    3.66918067002780

I GTH-PBE-q7 GTH-GGA-q7
    2    5    0    0
    0.56000025678691       1    8.21775094026508
       3
    0.53192887671737       3    2.30815100943733    1.00390943945418   -0.95915634381460
                                                   -2.85562978479759    2.47652990794884
                                                                       -1.96583009396094
    0.58918228402629       2    0.90648148475635    0.42507077708561
                                                   -0.50295137419776
    0.73972340009943       1    0.47919828636837

I GTH-PBE-q17 GTH-GGA-q17
    2    5   10    0
    0.49536553190951       1    4.50410000007396
       3
    0.46526297433160       3   10.91209809969239   -6.57351065013269    1.50686731737163
                                                   10.67400905952577   -3.89071140768355
                                                                        2.58810575775331
    0.49484434130935       2    4.59220278913208   -2.21706498311478
                                                    2.69618974038655
    0.38939930627983       2   -3.61574427583443   -0.84012784961321
                                                    0.57147893662092

I GTH-PBE-q25 GTH-GGA-q25
    4   11   10    0
    0.38225411397406       3   23.80337746876152   -4.40613368178570   -0.50386637588316
       3
    0.32259703612659       2    0.96832566344601    4.28491388947903
                                                   -5.98196612847151
    0.31565751994671       2   -0.24652860631174   -0.61441711855554
                                                    0.67320784372808
    0.44657907440947       2    1.77815569310564   -3.09368664691415
                                                    3.71470732389363

Xe GTH-PBE-q8 GTH-GGA-q8
    2    6    0    0
    0.55999978977226       1    8.04654021234313
       3
    0.53049437237455       3    2.23338415986291    1.20035962244853   -0.99850057340096
                                                   -3.17371586582808    2.57811034253054
                                                                       -2.04631376349586
    0.58177413879504       2    0.79697870334835    0.59123278015708
                                                   -0.69955679708249
    0.68554488502027       1    0.56019287733350

Xe GTH-PBE-q18 GTH-GGA-q18
    2    6   10    0
    0.49450743501571       1    5.07759716247842
       3
    0.45915206416588       3   10.81937112076561   -6.57000018193811    1.50999981336087
                                                   10.58100428092909   -3.88999951521658
                                                                        2.53025027022644
    0.47713529480799       2    4.59165673261083   -2.21999968147230
                                                    2.68060582548827
    0.40535397280838       2   -3.42328039140821   -0.83999995497217
                                                    0.38877550252423

Xe GTH-PBE-q26 GTH-GGA-q26
    4   12   10    0
    0.38043843401557       3   23.97989356523064   -4.68250215872306   -0.59078821809440
       3
    0.32972539015456       2    1.06541303430302    4.28491358881092
                                                   -6.23622366115256
    0.31027975140113       2   -0.28521935246658   -0.61441672930438
                                                    0.66172271920281
    0.44702472103403       2    1.78528373607685   -3.09368746050493
                                                    3.72338659401610

Cs GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    1.60329986376360       0
       3
    0.88709544916927       3    0.95905380340162   -0.06477758949798   -0.18759962344311
                                                   -0.10231184224768    0.57685639728501
                                                                       -0.29818517122404
    1.31281208016619       2    0.11198619925039    1.23277240141364
                                                    0.55901067838454
    1.03659492542375       1   -0.68008657967232

Cs GTH-PBE-q9 GTH-GGA-q9
    3    6    0    0
    0.53944335394382       2   33.31969122483321   -2.85337047076807
       4
    0.45978006423604       2   -3.32830803861085    2.45566156055806
                                                   -3.18729000144995
    0.36609196616057       2   -5.00460606725369    0.84038831941436
                                                   -0.99685801255397
    0.76969104807320       1    0.19821688580867
    0.59703916986641       1   -1.55046984390113

Ba GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    1.11938139209922       1    0.00046211552541
       3
    1.10391546903308       3    1.66326255886703   -0.44754863387239   -0.13878308672081
                                                    0.47077271073800    0.18681531787375
                                                                       -0.18184492897630
    1.30696997201096       2    0.82016054328870   -0.38785881375891
                                                    0.38196247033393
    0.86073045106637       1   -0.85307597824496

Ba GTH-PBE-q10 GTH-GGA-q10
    4    6    0    0
    0.54038307041929       2   24.46539457949801   -2.41348621574362
       4
    0.47770326922279       2    0.04814339385326    1.16931875840414
                                                   -1.50842675052553
    0.39167953554791       2    0.80011854704033   -1.61683825260533
                                                    1.91310822586182
    0.67230861554601       1    0.38975653861904
    0.30050814470980       1  -19.65383475813038

La GTH-PBE-q3 GTH-GGA-q3
 NA

La GTH-PBE-q11 GTH-GGA-q11
    4    6    1    0
    0.53556857117230       3   20.70977017197973   -1.70478324792685    0.01456953467798
       4
    0.53366302986146       2   -0.09599693969649    1.07859756912099
                                                   -1.38418380696703
    0.31278268193430       2    0.05344678364116    0.67328825345458
                                                   -0.55273303676853
    0.60922823113814       1    0.35602006111173
    0.29943784752123       1  -18.54517560010066

La GTH-PBE-q29 GTH-GGA-q29
 NA


Ce GTH-PBE-q4 GTH-GGA-q4
 NA

Ce GTH-PBE-q12 GTH-GGA-q12
    4    6    0    2
    0.53154207929294       2   18.79579616245609   -0.89677510457578
       4
    0.51733479064832       2    1.39574495965298    0.63822074638581
                                                   -1.53841440543820
    0.42914498135975       2    0.83538870278689    0.82459543991777
                                                   -1.54524618215540
    0.62312363633448       1    0.15561894296233
    0.30457314330696       1  -17.24688698952353

Ce GTH-PBE-q30 GTH-GGA-q30
    6   12   11    1
    0.20023676415652       2  147.89569874605343    3.98147863194881
       4
    0.23888920297065       2    2.45967228171085    4.20999892849392
                                                   -5.43153060220176
    0.17285619219171       3   -4.78836190524341   11.78843845118317    0.01475881165918
                                                  -13.99723840381655   -0.03492688063493
                                                                        0.13468722672975
    0.17178056618808       1  -14.90965508548769
    0.26523665553317       1   -4.75045410352283

Pr GTH-PBE-q5 GTH-GGA-q5
 NA

Pr GTH-PBE-q13 GTH-GGA-q13
    4    6    0    3
    0.53268640516637       2   18.62684600556179   -0.52737147177573
       4
    0.51913845214387       2    1.06618846341756    0.59344882253662
                                                   -1.66840794174913
    0.47020306936171       2    1.10435114870718    0.81049203795853
                                                   -1.87257187844968
    0.67353715435291       1    0.03385605959100
    0.30123757341753       1  -17.98036844914272

Pr GTH-PBE-q31 GTH-GGA-q31
 NA


Nd GTH-PBE-q6 GTH-GGA-q6
 NA

Nd GTH-PBE-q14 GTH-GGA-q14
    4    6    0    4
    0.52650146760315       2   17.82345239171632   -0.42219542693163
       4
    0.49803348759941       2    1.56426580453073    0.83697126955885
                                                   -2.15415793915092
    0.46497546237350       2    0.72471423299441    0.69854081026453
                                                   -1.65753760485448
    0.32015979435768       1   -0.36549290128928
    0.29467515436802       1  -18.52479149877614

Nd GTH-PBE-q32 GTH-GGA-q32
 NA


Pm GTH-PBE-q7 GTH-GGA-q7
 NA

Pm GTH-PBE-q15 GTH-GGA-q15
    4    6    0    5
    0.52697259212661       2   18.32123980151169   -0.48682876167464
       4
    0.48751918106952       2    1.30151284442551    0.98129920782617
                                                   -2.50320805815867
    0.46958499575617       2    0.16310881330318    0.66106860025899
                                                   -1.56837009240827
    0.47196614439501       1   -0.41240847875852
    0.29161764193742       1  -19.30712865098467

Pm GTH-PBE-q33 GTH-GGA-q33
 NA


Sm GTH-PBE-q8 GTH-GGA-q8
 NA

Sm GTH-PBE-q16 GTH-GGA-q16
    4    6    0    6
    0.52514590357984       2   17.23697901375500   -0.52837194817387
       4
    0.47831074644640       2    1.70447833324943    1.03129102861743
                                                   -2.66672896616962
    0.49206253436184       2   -0.09126117083288    0.46789905588029
                                                   -1.11069818141399
    0.46307580013400       1   -0.43242939031758
    0.28440477240834       1  -19.97448543335341

Sm GTH-PBE-q34 GTH-GGA-q34
 NA


Eu GTH-PBE-q9 GTH-GGA-q9
 NA

Eu GTH-PBE-q17 GTH-GGA-q17
    4    6    0    7
    0.52125691109929       2   17.42425611732989   -0.64364446525655
       4
    0.46741498223110       2    1.78338308721246    1.12914091901898
                                                   -2.91135575084290
    0.44640738969185       2    0.51844976743015    0.90207962803208
                                                   -2.12655159763220
    0.48900676936535       1   -0.41848909634445
    0.27841549793417       1  -20.95522471801818

Eu GTH-PBE-q35 GTH-GGA-q35
 NA


Gd GTH-PBE-q10 GTH-GGA-q10
 NA

Gd GTH-PBE-q18 GTH-GGA-q18
    4    6    0    8
    0.51624464647099       2   17.52396833348880   -0.54663332783287
       4
    0.46291312960287       2    1.53477928629474    1.19135436296842
                                                   -3.08884155472567
    0.45424151197758       2   -0.03387161024089    0.66549164857185
                                                   -1.68515102353127
    0.48890583314939       1   -0.59778346390808
    0.27356726321144       1  -21.94024764382248

Gd GTH-PBE-q36 GTH-GGA-q36
 NA


Tb GTH-PBE-q11 GTH-GGA-q11
 NA

Tb GTH-PBE-q19 GTH-GGA-q19
    4    6    0    9
    0.51424108079261       2   17.61635619309037   -0.77707686892175
       4
    0.44927360255877       2    1.72632060518693    1.32962090782542
                                                   -3.42649598139187
    0.42429027388852       2    0.55568301657703    1.17685553169257
                                                   -2.77716073193994
    0.48380953464056       1   -0.62319304679579
    0.26818335901220       1  -22.90802207734887

Tb GTH-PBE-q37 GTH-GGA-q37
 NA


Dy GTH-PBE-q12 GTH-GGA-q12
 NA

Dy GTH-PBE-q20 GTH-GGA-q20
    4    6    0   10
    0.51225854309749       2   16.98367970763863   -0.95190340302924
       4
    0.44062261225849       2    1.95018959249122    1.37231787547393
                                                   -3.54542943923912
    0.43451305929799       2    0.01620602206794    0.86333473311342
                                                   -2.04130927761813
    0.46489678150188       1   -0.68174680185057
    0.26156421836384       1  -23.92797818845739

Dy GTH-PBE-q38 GTH-GGA-q38
 NA


Ho GTH-PBE-q13 GTH-GGA-q13
 NA

Ho GTH-PBE-q21 GTH-GGA-q21
    4    6    0   11
    0.51015827058099       2   16.78419424087482   -1.16701268643415
       4
    0.43203020627220       2    2.05839700264235    1.42219528719174
                                                   -3.67443601279491
    0.42349147150160       2    0.27484239514264    0.99398774881639
                                                   -2.35062692870867
    0.44701220475195       1   -0.73657892256568
    0.25499807043771       1  -25.21362760827995

Ho GTH-PBE-q39 GTH-GGA-q39
 NA


Er GTH-PBE-q14 GTH-GGA-q14
 NA

Er GTH-PBE-q22 GTH-GGA-q22
    4    6    0   12
    0.50668493387378       2   17.08969072409164   -1.42533643655258
       4
    0.42013872446928       2    2.15511603751521    1.54121801481592
                                                   -3.97948270550192
    0.41456875663490       2    0.03394800061904    0.96870219023776
                                                   -2.29248291462602
    0.41821466795884       1   -0.99634934731473
    0.24907574225037       1  -26.69703942398228

Er GTH-PBE-q40 GTH-GGA-q40
 NA


Tm GTH-PBE-q15 GTH-GGA-q15
 NA

Tm GTH-PBE-q23 GTH-GGA-q23
    4    6    0   13
    0.49519359786377       2   17.57162722224646   -1.56944210107398
       4
    0.41195849341468       2    2.09618408955857    1.59600190778226
                                                   -4.00300560857978
    0.39890765192287       2   -0.09875833323311    0.94099983772578
                                                   -2.22260378096946
    0.38715524834945       1   -1.29509286637527
    0.24249115828502       1  -28.12522286416987

Tm GTH-PBE-q41 GTH-GGA-q41
 NA


Yb GTH-PBE-q16 GTH-GGA-q16
 NA

Yb GTH-PBE-q24 GTH-GGA-q24
    4    6    0   14
    0.50054046395179       2   17.45566321986105   -1.75584305626733
       4
    0.39961565371124       2    2.10931891516662    1.85663797642823
                                                   -4.82132483832287
    0.41516012408841       2   -0.91656760180288    0.69958462269570
                                                   -1.69290141931985
    0.44475273442505       1   -0.90758834374889
    0.23852947348096       1  -29.93593869239432

Yb GTH-PBE-q42 GTH-GGA-q42
 NA


Lu GTH-PBE-q17 GTH-GGA-q17
 NA

Lu GTH-PBE-q25 GTH-GGA-q25
    4    6    1   14
    0.49582040308406       2   17.23716571818317   -1.65279328807172
       4
    0.39154433206682       2    2.21302962135748    2.09462451275774
                                                   -5.41194159145858
    0.39302128479986       2   -0.71126852702480    1.15404023850946
                                                   -2.73100532020050
    0.43513868028634       1   -1.18254151806406
    0.23254667880161       1  -31.85562345377245

Lu GTH-PBE-q43 GTH-GGA-q43
 NA

Hf GTH-PBE-q4 GTH-GGA-q4
 NA

Hf GTH-PBE-q12 GTH-GGA-q12
    4    6    2    0
    0.56104584991073       2   15.52441895911770   -2.44359764404271
       3
    0.31610959385821       3  -10.88833254410283   27.37264686740678  -14.96157008223626
                                                  -59.66723268080275   38.63060632647993
                                                                      -30.65365852239080
    0.36211303239813       2   -9.66062285551301    9.22329770081851
                                                  -10.92450949781973
    0.41581967799850       2   -2.74881235933205    0.48133466221167
                                                   -0.54577663673036

Ta GTH-PBE-q5 GTH-GGA-q5
    2    0    3    0
    0.75804674132947       1    3.65369571141392
       3
    0.60414994223206       2    2.03242664346720   -1.17236715132084
                                                    3.07697377853430
    0.78746277132812       2    0.59375721684790   -0.50080202885705
                                                    1.21748524750428
    0.53152773638616       2   -2.20252209128652    0.73493500080287
                                                   -1.67875577707861

Ta GTH-PBE-q13 GTH-GGA-q13
    4    6    3    0
    0.55027657278865       2   13.38035965413466   -2.25039896701601
       3
    0.40094613481491       3   -4.44484786185763    4.17648757401039    1.87560622056796
                                                   -2.33116128460642   -4.84279804959171
                                                                        3.84364966417834
    0.35653341763458       2   -7.60711561589237    8.17895445633630
                                                   -9.67753732503080
    0.41824979312172       2   -1.11368795387230   -0.87533083880794
                                                    0.99252634597901

W GTH-PBE-q6 GTH-GGA-q6
    2    0    4    0
    0.72050756369340       1   10.67791402867254
       3
    0.46955812581541       2    5.80381341086577   -2.07062569558656
                                                    2.68436023716806
    0.72686061499332       2    1.78876854229878   -2.55398792356217
                                                    3.01660797538436
    0.50073639703526       2  -10.59727721508093    6.44789402003619
                                                   -7.28982568628632

W GTH-PBE-q14 GTH-GGA-q14
    4    6    4    0
    0.54032790699941       2   13.41930944764708   -2.21085137109861
       3
    0.39747880977370       3   -4.13184905031361    3.83542682090715    2.23317857859534
                                                   -1.31924200722531   -5.76604829819912
                                                                        4.57661016261964
    0.35193023903637       2   -7.46973298850924    8.11232651729238
                                                   -9.59979561243089
    0.41211374669306       2   -0.95464288303456   -1.06745295482892
                                                    1.21037676967506

Re GTH-PBE-q7 GTH-GGA-q7
    2    0    5    0
    0.69530841965662       1    8.21946601362903
       3
    0.52992975582662       2    2.26945889754446   -1.36659520838666
                                                    3.63036963409955
    0.74652385730805       2    0.49746248831122   -0.39095113044762
                                                    0.99728499087209
    0.49774764050680       2   -3.69375427355733    0.83544067030461
                                                   -1.90392966054490

Re GTH-PBE-q15 GTH-GGA-q15
    4    6    5    0
    0.53017388789049       2   13.45917310252137   -2.22872926275259
       3
    0.39423999582801       3   -3.70147628816915    3.15477784575602    2.85593352060819
                                                    0.57236475557394   -7.37399483431220
                                                                        5.85292975738002
    0.34973460901417       2   -7.06224748964019    7.56676096282495
                                                   -8.95380156912976
    0.40185601535088       2   -0.90016084448918   -1.14916799481408
                                                    1.30302480471966

Os GTH-PBE-q8 GTH-GGA-q8
    2    0    6    0
    0.64677310553536       1   10.73633042402574
       3
    0.53431568538035       2    2.44727069906309   -1.08870745191025
                                                    2.89899090519295
    0.70265220205906       2    0.46208667653086   -0.55121535408745
                                                    1.32852074395928
    0.47457453457466       2   -4.53507682148693    0.72115616767250
                                                   -1.63533996181386

Os GTH-PBE-q16 GTH-GGA-q16
    4    6    6    0
    0.52039846769278       2   13.45877358523923   -2.23090394813020
       3
    0.39094945565261       3   -3.26632823361263    2.36003424177637    3.61101659954542
                                                    2.82667602919905   -9.32361914522384
                                                                        7.40035576066489
    0.34638466882807       2   -6.89299816449322    7.52931888990526
                                                   -8.90168388446201
    0.39286112196292       2   -0.94268217258375   -1.08157041201650
                                                    1.22704304876132

Ir GTH-PBE-q9 GTH-GGA-q9
    2    0    7    0
    0.64350111133947       1   10.74838559388928
       3
    0.51611165319984       2    2.51779480521981   -1.08870834647691
                                                    3.04259130975109
    0.69101139148473       2    0.46227403019371   -0.55142195849762
                                                    1.33764341539171
    0.46892815720435       2   -4.54556988538067    0.72115637112519
                                                   -1.67538502587016

Ir GTH-PBE-q17 GTH-GGA-q17
    4    6    7    0
    0.51061140836480       2   13.41757109970722   -2.33843822555249
       3
    0.38849849487784       3   -2.52569836292839    1.05517486211889    4.67506882054885
                                                    6.24179885908026  -12.07095778587441
                                                                        9.58005666446976
    0.33969526297806       2   -6.52123539987241    7.35318507764368
                                                   -8.70023331878484
    0.37884277633614       2   -0.85596319997352   -1.17534828590223
                                                    1.33284421249476

Pt GTH-PBE-q10 GTH-GGA-q10
    1    0    9    0
    0.61826692366515       1   11.04790568969806
       3
    0.53124478592822       2    2.44773467176559   -1.02259795550098
                                                    2.68239816319134
    0.66419523332931       2    0.40840114588143   -0.69557682598414
                                                    1.64771490278013
    0.45027711751471       2   -4.55193677928683    0.92707007521914
                                                   -2.09665983696674

Pt GTH-PBE-q18 GTH-GGA-q18
    3    6    9    0
    0.50023834323855       2    8.80761682949933   -0.29224695728328
       3
    0.29800450113165       3   -5.96986332819754   24.21289965999992  -13.78967804212236
                                                  -53.68763413000000   35.60479890000057
                                                                      -28.26151565156513
    0.36058361183697       3   -6.67487820215815    7.17066020916068    0.76690369999558
                                                   -7.20698813982077   -1.81482537999368
                                                                        1.29035948697583
    0.34053295964396       2   -8.58990455000000    9.41012199999454
                                                  -10.68007537015553

Au GTH-PBE-q1 GTH-GGA-q1
    1    0    0    0
    0.65012962406511       2   -1.93433361303712   -1.76301507822439
       2
    0.91899990197208       3    1.53884703597749    0.18154008148751   -0.19322359881314
                                                   -0.39867555779933    0.49893059659266
                                                                       -0.80160419188383
    1.15961099620762       3    0.47119620767425    0.27510634936960   -0.06250902847804
                                                   -0.49750710168458    0.14763684068549
                                                                       -0.25336590837855

Au GTH-PBE-q11 GTH-GGA-q11
    1    0   10    0
    0.59065486855475       1   11.69462234827740
       3
    0.52138453813799       2    2.71159081846225   -1.04613450095615
                                                    2.89865600996397
    0.63316930086754       2    0.42933680608307   -0.86956740369951
                                                    2.07628710648111
    0.43686196135570       2   -4.71920045748088    0.72777076344627
                                                   -1.72305655837391

Au GTH-PBE-q19 GTH-GGA-q19
    3    6   10    0
    0.48472320495851       2    7.99131735166475    0.40089668184795
       3
    0.29217652506696       3   -5.98573427013047   26.10502302005334  -15.17622051290466
                                                  -58.38550875191492   39.18482985619110
                                                                      -31.10326112195930
    0.36185975995283       3   -5.87457506659536    4.73144490083833    2.92710627135590
                                                   -0.72517774891052   -6.92679630468182
                                                                        4.90302753826367
    0.34626721277099       2   -8.80479836768511    9.49191508268646
                                                  -10.76246780190128

Hg GTH-PBE-q2 GTH-GGA-q2
    2    0    0    0
    0.64041056392485       1   -3.29822541323821
       3
    0.81220444266270       3    1.79174537464775    0.18053038860515   -0.19516598520092
                                                   -0.47577137986105    0.50391628907100
                                                                       -0.76185952636827
    1.05579685305736       2    0.48297040300014    0.22464144162793
                                                   -0.50853965783736
    1.10176712679387       1    0.19113570333873

Hg GTH-PBE-q12 GTH-GGA-q12
    2    0   10    0
    0.57002208444097       1    8.47949827849970
       3
    0.53001253551471       2    7.39361296292855   -2.96994050875310
                                                    3.84452565363734
    0.63556842061258       2    3.55852581957466   -1.72287674636409
                                                    2.03865553622616
    0.40797682821211       2   -8.61399795608438    5.00756086961398
                                                   -5.67812785837039

Hg GTH-PBE-q20 GTH-GGA-q20
    4    6   10    0
    0.49249475825194       2    7.12907266070063    0.46435797886385
       3
    0.29395003491232       3   -5.72904074911577   26.10501825625909  -15.17621380287809
                                                  -58.37695815087706   39.18481671900480
                                                                      -31.30486077045057
    0.36492399354116       3   -5.89585888145087    4.73148318335506    2.92707934980281
                                                   -0.72219795077228   -6.92678065319000
                                                                        4.86176744159500
    0.35239179600413       2   -8.72559651593240    9.49191369982618
                                                  -10.76225726197094

Tl GTH-PBE-q3 GTH-GGA-q3
    2    1    0    0
    0.62718736424795       1   -1.22805508833547
       3
    0.75425166757617       3    1.89171263023460    0.11761517806315   -0.19062738997565
                                                   -0.28331837518376    0.49219655005255
                                                                       -0.75278269962687
    0.90678602221629       2    0.75994146392826    0.24793468534072
                                                   -0.54082153653892
    1.06218628668151       1    0.33592867722347

Tl GTH-PBE-q13 GTH-GGA-q13
    2    1   10    0
    0.54999550045939       1   12.29118074476246
       3
    0.51284858606285       2    7.19025401817334   -2.86301028175940
                                                    3.70720598247492
    0.57715753247504       2    4.75103861165314   -3.67332525750975
                                                    4.34635472033365
    0.39327790343274       2  -11.01269475661979    6.42159210528649
                                                   -7.28142395497986

Tl GTH-PBE-q21 GTH-GGA-q21
    4    7   10    0
    0.48271243137487       2    7.15872500172547    0.45867471608462
       3
    0.28947307434305       3   -5.74646118756761   26.10502884722757  -15.17622268532535
                                                  -58.38117876119384   39.18480947038177
                                                                      -31.30682912627588
    0.37077959502267       3   -5.91046361076375    4.73149445087162    2.92706617638444
                                                   -0.68976535568342   -6.92676920045836
                                                                        4.86982565206428
    0.34720090409639       2   -8.73125571421580    9.49190847858756
                                                  -10.80032147616671

Pb GTH-PBE-q4 GTH-GGA-q4
    2    2    0    0
    0.63317721197332       1    0.78054114137266
       3
    0.71106631029872       3    1.98843169841181    0.06388669950676   -0.19665749366026
                                                   -0.14892236105655    0.50776961865513
                                                                       -0.77933946955902
    0.85316106257631       2    0.89850135178426    0.22860194328578
                                                   -0.50401253719938
    0.97202986330242       1    0.47585933693281

Pb GTH-PBE-q14 GTH-GGA-q14
    2    2   10    0
    0.53040428236053       1   12.56131650311111
       3
    0.49568475067495       2    8.43482906482112   -3.44005615312221
                                                    4.44343457830040
    0.56816450205064       2    4.99578873769302   -2.89639919231617
                                                    3.43472860593276
    0.40423957915412       2   -6.82458220281368    1.83782673302281
                                                   -2.08421366808718

Pb GTH-PBE-q22 GTH-GGA-q22
    4    8   10    0
    0.47430925918470       2    7.17635132812430    0.46287266598171
       3
    0.28750176806965       3   -5.76597465761726   26.10502295182793  -15.17620973158241
                                                  -58.38166541151799   39.18480620668290
                                                                      -31.34568764605958
    0.37089576405178       3   -5.91116995413923    4.73149188860750    2.92706825994297
                                                   -0.70009404822693   -6.92676802566705
                                                                        4.88298158561891
    0.34738131718917       2   -8.72217878012541    9.49191131836268
                                                  -10.79336011418028

Bi GTH-PBE-q5 GTH-GGA-q5
    2    3    0    0
    0.61736905464622       1    6.71199917769009
       3
    0.67890038254930       3    1.37759219138783    0.19895422872228   -0.11491882888985
                                                   -0.49270281735523    0.29671890363934
                                                                       -0.46103006555318
    0.80532684035722       2    0.67940706072334    0.17027045767487
                                                   -0.37504466752136
    0.93474620450667       1    0.39652821525100

Bi GTH-PBE-q15 GTH-GGA-q15
    2    3   10    0
    0.50967088015777       1   13.40016204608675
       3
    0.48113735341269       2    9.54207606475169   -3.94511460416083
                                                    5.09217800258179
    0.54875271179780       2    5.63192667133137   -3.17713966257880
                                                    3.75749340359460
    0.39734963788413       2   -6.03362039427492    0.92523549757308
                                                   -1.04863239661179

Bi GTH-PBE-q23 GTH-GGA-q23
    4    9   10    0
    0.46518529939811       2    7.16291319644411    0.45503930789423
       3
    0.28535784751861       3   -5.76249255543382   26.10501761356083  -15.17620866096991
                                                  -58.39055545037753   39.18480694235685
                                                                      -31.36054775254877
    0.37292023073189       3   -5.89674097890689    4.73149195995497    2.92707002106531
                                                   -0.69614846402099   -6.92677426136704
                                                                        4.88265867647788
    0.35098331440250       2   -8.70169646125427    9.49191211399932
                                                  -10.77882706019789

Po GTH-PBE-q6 GTH-GGA-q6
    2    4    0    0
    0.59217016730606       1    8.13704931131590
       3
    0.80444131055489       3    0.32637368116881    0.10539948857431    0.52809473562354
                                                    0.72287184614558   -1.36353411661414
                                                                        1.08205382750946
    0.81671655438584       2    0.15719244102117    0.37530255370872
                                                   -0.44445995988105
    0.89008358737875       1    0.45789763178724

Po GTH-PBE-q16 GTH-GGA-q16
    2    4   10    0
    0.49899705949721       3   13.05916067283894    0.33053911454575   -0.10371580887625
       3
    0.47888563539601       2    9.34634521510137   -3.94511964425374
                                                    5.12202821217828
    0.54120986983498       2    5.73354538220681   -3.17707836973151
                                                    3.73350506262814
    0.38432419523256       2   -6.11124463594520    0.92523265355840
                                                   -1.05651348084201

Po GTH-PBE-q24 GTH-GGA-q24
    4   10   10    0
    0.45445706954816       2    7.27908946809391    0.28509612506245
       3
    0.28274478055545       3   -5.83366806899775   26.10502253881996  -15.17621000744003
                                                  -58.39222164856734   39.18480660633013
                                                                      -31.36157761734535
    0.36975533772149       3   -5.84249222395674    4.73149002436867    2.92707182792688
                                                   -0.69701754995282   -6.92677369988906
                                                                        4.86557050135280
    0.34969811806138       2   -8.78053617702601    9.49191248344017
                                                  -10.77053266018237

At GTH-PBE-q7 GTH-GGA-q7
    2    5    0    0
    0.57989357524317       1   14.20632541059481
       3
    0.66675653736708       3   -0.37880997743481    0.66112652290319    0.27884894390549
                                                   -0.40003332139879   -0.71998576260609
                                                                        0.57149689364016
    0.65204262719196       2    0.25551508341253    0.32622840672289
                                                   -0.38704123227337
    0.85407429368808       1    0.45049925686367

At GTH-PBE-q17 GTH-GGA-q17
    2    5   10    0
    0.49942615815914       3   13.06359645539277    0.35999660900018   -0.09861774795903
       3
    0.46497976497735       2    9.33682342433556   -3.94511920634005
                                                    5.11899228059897
    0.52558004917348       2    5.77050916853651   -3.17707685071399
                                                    3.75325345643645
    0.38801205499925       2   -6.13324160035664    0.92523278651548
                                                   -1.05168692814539

At GTH-PBE-q25 GTH-GGA-q25
   4   11   10    0
    0.44628607217018       2    7.28381677257663    0.23054502576920
       3
    0.27885912219428       3   -5.88154595183123   26.10502820210140  -15.17621756920536
                                                  -58.39108854365154   39.18481106857567
                                                                      -31.49516412849314
    0.36895218892197       3   -5.88798166402627    4.73149193196076    2.92707126183301
                                                   -0.69886547788470   -6.92677690607329
                                                                        4.80037466496986
    0.35582491410128       2   -8.77335019113566    9.49191220231676
                                                  -10.87678952415820

Rn GTH-PBE-q8 GTH-GGA-q8
    2    6    0    0
    0.56976147373000       1   16.19009439432345
       3
    0.63514392700915       3   -0.58189191375165    0.80312813544374    0.29738582062557
                                                   -0.55309026994603   -0.76784718792168
                                                                        0.60945600102367
    0.64730208494156       2    0.15828567264304    0.30517346268024
                                                   -0.36280933601011
    0.80549395111977       1    0.51078708742816

Rn GTH-PBE-q18 GTH-GGA-q18
    2    6   10    0
    0.50577369723434       3   13.13085737454647    0.17307162418017   -0.22242325100291
       3
    0.46680641972495       2    9.39584597068366   -3.94512009169294
                                                    5.00271462153630
    0.52555845832778       2    5.76700286138708   -3.17707721200812
                                                    3.69095778067359
    0.38770671830034       2   -6.04155087007128    0.92523282986732
                                                   -1.05674609415632

Rn GTH-PBE-q26 GTH-GGA-q26
    4   12   10    0
    0.43317072330926       2    7.25230000473133    0.21355525146461
       3
    0.27436800272130       3   -5.83829569280137   26.10503886915613  -15.17622132681492
                                                  -58.40264870561197   39.18481759031067
                                                                      -31.54840710226699
    0.36959963812269       3   -5.78957532659083    4.73149309369972    2.92707099836466
                                                   -0.71438751753869   -6.92677763758236
                                                                        4.68221475360108
    0.36677947247538       2   -8.78439030234630    9.49191231376359
                                                  -10.98665293099919



################################################################################
#
# GTH Pseudopotentials optimized for SCAN
#
#  &METHOD
#     METHOD_TYPE  KOHN-SHAM
#     RELATIVISTIC DKH(3)
#     &XC
#       &XC_FUNCTIONAL
#         &LIBXC
#          FUNCTIONAL MGGA_X_SCAN
#         &END LIBXC
#         &LIBXC
#           FUNCTIONAL MGGA_C_SCAN
#         &END LIBXC
#       &END XC_FUNCTIONAL
#     &END XC
#  &END METHOD
#
#  &POTENTIAL
#    CONFINEMENT_TYPE  BARRIER
#    CONFINEMENT 200. 4.0 12.0 
#  &END POTENTIAL
#
#  &POWELL
#      WEIGHT_PSIR0 0.0
#      TARGET_POT_SEMICORE      [eV]      0.003000
#      TARGET_POT_VALENCE       [eV]      0.000300
#      TARGET_POT_VIRTUAL       [eV]      0.003000
#  &END
#
#   Pseudopotential form
#
#     Atom    Zcore   Zval    NC    NPS  NPP  NPD  NPF
#   1  H          0      1     2      0    0    0    0
#   2  He         0      2     2      0    0    0    0
#   3  Li         2      1     2      1    1    0    0
#                 0      3     4      0    0    0    0
#   4  Be         2      2     2      1    1    0    0
#                 0      4     4      0    0    0    0
#   5  B          2      3     2      1    0    0    0
#   6  C          2      4     2      1    0    0    0
#   7  N          2      5     2      1    0    0    0
#   8  O          2      6     2      1    0    0    0
#   9  F          2      7     2      1    0    0    0
#  10  Ne         2      8     3      2    1    0    0
#  11  Na        10      1     1      2    1    0    0
#                 2      9     3      1    1    0    0
#  12  Mg        10      2     1      2    1    0    0
#                 2     10     3      1    1    0    0
#  13  Al        10      3     1      2    1    0    0
#  14  Si        10      4     1      2    1    0    0
#  15  P         10      5     1      2    1    0    0
#  16  S         10      6     1      2    1    0    0
#  17  Cl        10      7     1      2    1    0    0
#  18  Ar        10      8     1      2    1    0    0
#  19  K         18      1     1      3    2    1    0
#                10      9     3      2    2    0    0
#  20  Ca        18      2     1      3    2    1    0
#                10     10     2      2    2    1    0
#  21  Sc        18      3     1      3    2    1    0
#                10     11     2      2    2    1    0
#  22  Ti        18      4     0      3    2    1    0
#                10     12     2      2    2    1    0
#  23  V         18      5     0      3    2    1    0
#                10     13     2      2    2    1    0
#  24  Cr        18      6     0      3    2    1    0
#                10     14     2      2    2    1    0
#  25  Mn        18      7     0      3    2    1    0
#                10     15     2      2    2    1    0
#  26  Fe        18      8     1      3    2    1    0
#                10     16     2      2    2    1    0
#  27  Co        18      9     1      3    2    1    0
#                10     17     2      2    2    1    0
#  28  Ni        18     10     1      3    2    1    0
#                10     18     2      2    2    1    0
#  29  Cu        28      1     1      3    2    1    0
#                18     11     0      3    2    1    0
#                10     19     2      2    2    1    0
#  30  Zn        28      2     1      3    2    1    0
#                18     12     0      3    2    1    0
#                10     20     2      2    2    1    0
#  31  Ga        28      3     0      3    2    1    0
#                18     13     2      3    2    1    0
#                10     21     3      2    2    1    0
#  32  Ge        28      4     0      3    2    1    0
#                18     14     0      3    2    1    0
#                10     22     2      2    2    1    0
#  33  As        28      5     0      3    2    1    0
#                18     15     0      3    2    1    0
#                10     23     2      2    2    1    0
#  34  Se        28      6     2      3    2    1    0
#                18     16     0      3    2    1    0
#                10     24     2      2    2    1    0
#  35  Br        28      7     1      3    2    1    0
#                18     17     0      3    2    1    0
#                10     25     2      2    2    1    0
#  36  Kr        28      8     0      3    2    1    0
#                18     18     1      3    2    1    0
#                10     26     2      2    2    1    0
#  37  Rb        36      1     2      3    2    1    0
#                28      9     2      2    2    1    0
#  38  Sr        36      2     2      3    2    1    0
#                28     10     2      2    2    1    0
#  39  Y         36      3     2      3    2    2    0
#                28     11     3      2    2    2    0
#  40  Zr        36      4     2      3    2    2    0
#                28     12     3      2    2    2    0
#  41  Nb        36      5     2      2    2    2    0
#                28     13     2      2    2    2    0
#  42  Mo        36      6     2      2    2    2    0
#                28     14     2      2    2    2    0
#  43  Tc        36      7     2      2    2    2    0
#                28     15     2      2    2    2    0
#  44  Ru        36      8     1      2    2    2    0
#                28     16     2      2    2    2    0
#  45  Rh        36      9     1      2    2    2    0
#                28     17     2      2    2    2    0
#  46  Pd        36     10     1      2    2    2    0
#                28     18     2      2    2    2    0
#  47  Ag        46      1     1      3    2    1    0
#                36     11     1      3    2    2    0
#                28     19     3      2    2    2    0
#  48  Cd        46      2     1      3    2    1    0
#                36     12     1      3    2    2    0
#                28     20     3      2    2    2    0
#  49  In        46      3     1      3    2    1    0
#                36     13     1      3    2    2    0
#                28     21     3      2    2    2    0
#  50  Sn        46      4     1      3    2    1    0
#                36     14     1      3    2    2    0
#                28     22     3      2    2    2    0
#  51  Sb        46      5     1      3    2    1    0
#                36     15     1      3    2    2    0
#                28     23     3      2    2    2    0
#  52  Te        46      6     1      3    2    1    0
#                36     16     1      3    2    2    0
#                28     24     3      2    2    2    0
#  53  I         46      7     1      3    2    1    0
#                36     17     1      3    2    2    0
#                28     25     3      2    2    2    0
#  54  Xe        46      8     1      3    2    1    0
#                36     18     1      3    2    2    0
#                28     26     3      2    2    2    0
#  55  Cs        54      1     0      3    2    1    0
#                46      9     2      2    2    1    1
#  56  Ba        54      2     1      3    2    1    0
#                46     10     3      2    2    1    1
#  57  La        54      3
#                46     11     3      2    3    1    1
#                28     29
#  58  Ce        54      4
#                46     12     2      2    2    1    1
#                28     30     2      2    3    1    1
#  59  Pr        54      5
#                46     13     2      2    2    1    1
#                28     31
#  60  Nd        54      6
#                46     14     2      2    2    1    1
#                28     32
#  61  Pm        54      7
#                46     15     2      2    2    1    1
#                28     33
#  62  Sm        54      8
#                46     16     2      2    2    1    1
#                28     34
#  63  Eu        54      9
#                46     17     2      2    2    1    1
#                28     35
#  64  Gd        54     10
#                46     18     2      2    2    1    1
#                28     36
#  65  Tb        54     11
#                46     19     2      2    2    1    1
#                28     37
#  66  Dy        54     12
#                46     20     2      2    2    1    1
#                28     38
#  67  Ho        54     13
#                46     21     2      2    2    1    1
#                28     39
#  68  Er        54     14
#                46     22     2      2    2    1    1
#                28     40
#  69  Tm        54     15
#                46     23     2      2    2    1    1
#                28     41
#  70  Yb        54     16
#                46     24     2      2    2    1    1
#                28     42
#  71  Lu        54     17
#                46     25     2      2    2    1    1
#                28     43
#  72  Hf        68      4
#                60     12     2      3    2    2    0
#  73  Ta        68      5     1      2    2    2    0
#                60     13     2      3    2    2    0
#  74  W         68      6     1      2    2    2    0
#                60     14     2      3    2    2    0
#  75  Re        68      7     1      2    2    2    0
#                60     15     2      3    2    2    0
#  76  Os        68      8     1      2    2    2    0
#                60     16     2      3    2    2    0
#  77  Ir        68      9     1      2    2    2    0
#                60     17     2      3    2    2    0
#  78  Pt        68     10     1      2    2    2    0
#                60     18     2      3    2    2    0
#  79  Au        78      1     2      3    3    0    0
#                68     11     1      2    2    2    0
#                60     19     2      3    3    2    0
#  80  Hg        78      2     1      3    2    1    0
#                68     12     1      2    2    2    0
#                60     20     2      3    3    2    0
#  81  Tl        78      3     1      3    2    1    0
#                68     13     1      2    2    2    0
#                60     21     2      3    3    2    0
#  82  Pb        78      4     1      3    2    1    0
#                68     14     2      2    2    2    0
#                60     22     2      3    3    2    0
#  83  Bi        78      5     1      3    2    1    0
#                68     15     3      2    2    2    0
#                60     23     2      3    3    2    0
#  84  Po        78      6     2      3    2    1    0
#                68     16     3      2    2    2    0
#                60     24     2      3    3    2    0
#  85  At        78      7     1      3    2    1    0
#                68     17     3      2    2    2    0
#                60     25     2      3    3    2    0
#  86  Rn        78      8     1      3    2    1    0
#                68     18     3      2    2    2    0
#                60     26     2      3    3    2    0
#
#
#  Current maximal deviations [eV]
#
#    Atom  Q          SC              VA              U1
#   1  H   1        ==         -0.000241       -0.000069 *****
#                                               0.000810
#   2  He  2        ==          0.000155        0.001342 *****
#                                               0.002974
#   3  Li  1        ==          0.000318       -0.016114 *****
#                                              -0.002940
#                                               0.000202
#   3  Li  3   -0.002979        0.000298        0.000270 *****
#                                               0.000220
#                                              -0.000144
#   4  Be  2        ==         -0.000300       -0.003018 *****
#                                              -0.003005
#                                               0.000292
#   4  Be  4   -0.003002       -0.000301       -0.000394 *****
#                                               0.003065
#                                              -0.000605
#   5  B   3        ==         -0.000295       -0.002575 *****
#                              -0.000297        0.000654
#                                               0.000111
#   6  C   4        ==         -0.000300       -0.001114 *****
#                              -0.000301        0.000814
#                                              -0.000378
#   7  N   5        ==         -0.000301       -0.001321 *****
#                              -0.000301        0.000538
#                                              -0.000248
#   8  O   6        ==         -0.000026       -0.001077 *****
#                              -0.000054        0.001208
#                                              -0.001017
#   9  F   7        ==         -0.000299       -0.001375 *****
#                              -0.000300        0.001501
#                                              -0.000969
#  10  Ne  8        ==          0.000303       -0.001133 *****
#                               0.000329        0.000955
#                                              -0.000086
#  11  Na  1        ==         -0.000221       -0.022713  ****
#                                              -0.002954
#                                              -0.018215
#  11  Na  9   -0.003029        0.000304        0.000178  ****
#               0.002549                       -0.000713
#                                              -0.000079
#  12  Mg  2        ==          0.000408       -0.049345  ****
#                                               0.002879
#                                               0.030718
#  12  Mg 10   -0.003003        0.000300       -0.000024  ****
#              -0.003002                       -0.001597
#                                               0.000043
#  13  Al  3        ==          0.000358       -0.017587    **
#                               0.000369       -0.011427
#                                               0.019441
#  14  Si  4        ==          0.000306       -0.010526    **
#                               0.000308       -0.005199
#                                               0.016320
#  15  P   5        ==          0.000311       -0.007744    **
#                               0.000322       -0.002519
#                                               0.012730
#  16  S   6        ==          0.000305       -0.009646  ****
#                               0.000314       -0.003181
#                                               0.013003
#  17  Cl  7        ==          0.000301       -0.008488  ****
#                               0.000309       -0.002553
#                                               0.010272
#  18  Ar  8        ==          0.000299       -0.008582  ****
#                              -0.000148       -0.001779
#                                               0.004051
#  19  K   1    NA
#  19  K   9   -0.004648        0.000560       -0.003813  ****
#               0.005287                       -0.003141
#                                               0.028504 
#  20  Ca  2    NA
#  20  Ca 10   -0.003083       -0.000113       -0.005997     *
#               0.003119                       -0.008172
#                                              -0.002431
#  21  Sc  3        ==          0.000114        0.016012     *
#                              -0.000328        0.003415
#                                               0.031334
#  21  Sc 11    0.005769       -0.000566       -0.008412     *
#               0.002605       -0.000335        0.007097
#                                               0.005561
#  22  Ti  4        ==          0.000274        0.022676     *
#                              -0.000313       -0.002730
#                                               0.031473
#  22  Ti 12    0.008213       -0.000808       -0.007436     *
#              -0.005302       -0.000386        0.029572
#                                               0.006657
#  23  V   5        ==          0.000597        0.015835     *
#                               0.000422        0.002322
#                                               0.042024
#  23  V  13    0.006049       -0.000638       -0.013587     *
#              -0.003917       -0.000366        0.042534
#                                               0.004762
#  24  Cr  6        ==         -0.000438       -0.017935     *
#                              -0.000304        0.003201
#                                               0.038235
#  24  Cr 14   -0.006598        0.001188       -0.046282     *
#              -0.003454       -0.000369        0.087511
#                                              -0.020527
#  25  Mn  7        ==          0.000452        0.035471     *
#                               0.000346        0.009192
#                                               0.015728
#  25  Mn 15   -0.005327        0.000904       -0.022427     *
#               0.003634        0.000352        0.047586
#                                              -0.003925
#  26  Fe  8        ==          0.000207        0.039742     *
#                               0.000574       -0.002104
#                                               0.046699
#  26  Fe 16   -0.004607        0.000584       -0.000671     *
#               0.003548        0.000367        0.001567
#                                               0.011377
#  27  Co  9        ==          0.000098        0.014425     *
#                               0.000312       -0.002426
#                                              -0.014333
#  27  Co 17    0.005207       -0.000540       -0.003541     *
#              -0.004239       -0.000312        0.014069
#                                               0.012896
#  28  Ni 10        ==         -0.000349       -0.011016     *
#                              -0.000328       -0.002870
#                                              -0.015897
#  28  Ni 18    0.007761       -0.000855        0.004541     *
#              -0.003398       -0.000380       -0.007426
#                                               0.023644
#  29  Cu  1    NA
#  29  Cu 11        ==         -0.000351       -0.011705     *
#                               0.000322        0.002812
#                                               0.037166
#  29  Cu 19   -0.006719        0.000842       -0.002447     *
#               0.004300        0.000437       -0.007676
#                                               0.013464
#  30  Zn  2    NA
#  30  Zn 12        ==         -0.000306       -0.002338     *
#                               0.000318       -0.000501
#                                               0.035393
#  30  Zn 20   -0.003582        0.000537        0.005855     *
#               0.003053        0.000362        0.032965
#                                               0.007520
#  31  Ga  3        ==         -0.000295        0.156218     *
#                               0.000537        0.005298
#                                               0.003120
#  31  Ga 13   -0.003571       -0.000266        0.003175     *
#                               0.000064       -0.006868
#                                               0.020543
#  31  Ga 21    0.003937       -0.000429       -0.013320     *
#               0.003188       -0.000627        0.002913
#                                              -0.002508
#  32  Ge  4        ==         -0.000216        0.037599     *
#                               0.000369       -0.005467
#                                               0.003007
#  32  Ge 14    0.005008        0.000384       -0.018815     *
#                               0.000705       -0.023455
#                                               0.050315
#  32  Ge 22    0.004093       -0.000431       -0.017758     *
#               0.002960       -0.000803       -0.000792
#                                               0.009588
#  33  As  5        ==          0.000331       -0.000776     *
#                               0.000407       -0.007792
#                                               0.008392
#  33  As 15   -0.002445       -0.000257       -0.011316     *
#                              -0.000062       -0.027110
#                                               0.086083
#  33  As 23   -0.003167        0.000320       -0.025861     *
#               0.003038        0.000098       -0.002079
#                                               0.027903
#  34  Se  6        ==          0.000313       -0.011551     *
#                               0.000329       -0.004627
#                                               0.004309
#  34  Se 16    0.000462       -0.000268       -0.031954     *
#                              -0.000344       -0.052724
#                                               0.166169
#  34  Se 24   -0.002956        0.000298       -0.036524     *
#               0.003206        0.000558       -0.002789
#                                               0.050988
#  35  Br  7        ==          0.000302       -0.020502     *
#                               0.000268       -0.003309
#                                               0.002915
#  35  Br 17    0.002146        0.000357       -0.041204     *
#                               0.000501       -0.056611
#                                               0.176210
#  35  Br 25    0.004100       -0.000455        0.082945     *
#               0.004566       -0.001528       -0.004611
#                                               0.061016
#  36  Kr  8        ==          0.000301       -0.024566     *
#                              -0.000141       -0.002972
#                                               0.002080
#  36  Kr 18    0.002643        0.000351       -0.085534     *
#                               0.000381       -0.048308
#                                               0.148464
#  36  Kr 26    0.003255       -0.000267       -0.033439     *
#               0.003083        0.000011       -0.021940
#                                               0.095599
#  37  Rb  1    NA
#  37  Rb  9   -0.002796        0.000310        0.000350
#               0.003959                       -0.000148
#                                               0.000839
#  38  Sr  2    NA
#  38  Sr 10    0.003500       -0.000332       -0.002214
#              -0.003058                        0.004421
#                                              -0.002942
#  39  Y   3        ==          0.000422       -0.022169
#                              -0.000278       -0.005974
#                                               0.054954
#  39  Y  11    0.007415       -0.000794       -0.008942
#              -0.006462       -0.000434       -0.005290
#                                               0.011300
#  40  Zr  4        ==         -0.000329        0.031535
#                               0.000313       -0.002989
#                                               0.071481
#  40  Zr 12   -0.007973        0.000900       -0.039266
#               0.006085        0.000399        0.003422
#                                              -0.021230
#  41  Nb  5        ==         -0.000357        0.056023
#                              -0.000017       -0.002569
#                                               0.020178
#  41  Nb 13   -0.004544        0.000756       -0.043174
#              -0.002452        0.000338        0.030977
#                                              -0.022731
#  42  Mo  6        ==         -0.000425        0.059340
#                              -0.000387       -0.003010
#                                               0.012781
#  42  Mo 14    0.003656       -0.000354        0.004166
#              -0.004030       -0.000331        0.016407
#                                               0.008081
#  43  Tc  7        ==          0.000433        0.024374
#                              -0.000264       -0.003010
#                                               0.072724
#  43  Tc 15    0.003242       -0.000187        0.010211
#              -0.003574       -0.000307        0.020341
#                                               0.019845
#  44  Ru  8        ==         -0.000324       -0.007022
#                              -0.000319       -0.002561
#                                               0.012558
#  44  Ru 16    0.001814       -0.000465        0.004923
#              -0.004663       -0.000601       -0.072316
#                                              -0.015383
#  45  Rh  9        ==         -0.000321       -0.004336
#                              -0.000321       -0.002886
#                                               0.000149
#  45  Rh 17    0.004962       -0.000103        0.071448
#              -0.005170       -0.000428        0.041037
#                                               0.057471
#  46  Pd 10        ==         -0.000304       -0.009900
#                              -0.000305       -0.002318
#                                              -0.000906
#  46  Pd 18    0.002195        0.001148        0.125069
#              -0.005007       -0.000761        0.019401
#                                               0.110119
#  47  Ag  1    NA
#  47  Ag 11        ==         -0.000125       -0.009478
#                              -0.000307       -0.002788
#                                               0.000009
#  47  Ag 19   -0.009958        0.001867       -0.039157
#              -0.004758       -0.000668        0.031908
#                                              -0.068099
#  48  Cd  2    NA
#  48  Cd 12        ==          0.000670       -0.070092
#                              -0.000455        0.003008
#                                              -0.022520
#  48  Cd 20   -0.007745        0.001949       -0.173480
#              -0.004920       -0.000987       -0.075297
#                                              -0.140819
#  49  In  3        ==          0.000338        0.082104
#                               0.000491       -0.008280
#                                               0.003091
#  49  In 13   -0.008880       -0.000403       -0.010167
#                              -0.000495       -0.006189
#                                               0.016673
#  49  In 21    0.003537       -0.000353        0.026605
#              -0.001659       -0.000350        0.008795
#              -0.006234                        0.042387
#  50  Sn  4        ==         -0.000312        0.187722
#                               0.000693        0.036878
#                                               0.042425
#  50  Sn 14   -0.006298       -0.000357       -0.026650
#                              -0.000549       -0.035711
#                                               0.090804
#  50  Sn 22    0.005012       -0.000427       -0.006551
#               0.003032       -0.000501       -0.002403
#              -0.007309                        0.051995
#  51  Sb  5        ==         -0.000299        0.033998
#                               0.000359       -0.000106
#                                               0.006904
#  51  Sb 15   -0.006019       -0.000369       -0.078455
#                              -0.000559       -0.068400
#                                               0.164250
#  51  Sb 23   -0.003231        0.000343       -0.038007
#              -0.003266        0.000479       -0.011682
#               0.003814                        0.076331
#  52  Te  6        ==          0.000312       -0.002244
#                               0.000353       -0.002386
#                                               0.007162
#  52  Te 16    0.000715       -0.000131       -0.094725
#                              -0.000566       -0.080940
#                                               0.266262
#  52  Te 24    0.003528       -0.000347       -0.033544
#               0.005631       -0.000836       -0.012115
#              -0.005068                        0.133585
#  53  I   7        ==          0.000297       -0.016389
#                               0.000299       -0.004402
#                                               0.002933
#  53  I  17   -0.001948       -0.000229       -0.131514
#                              -0.000254       -0.079284
#                                               0.338706
#  53  I  25   -0.004434        0.000345       -0.040957
#               0.004225       -0.000226       -0.016092
#               0.002285                        0.180231
#  54  Xe  8        ==          0.000305       -0.028986
#                               0.000246       -0.006293
#                                               0.003349
#  54  Xe 18    0.002796       -0.000264       -0.176826
#                              -0.000565       -0.088421
#                                               0.413886
#  54  Xe 26    0.003822       -0.000306       -0.053118
#               0.004134       -0.000653       -0.014782
#              -0.004088                        0.223750
#  55  Cs  1    NA
#  55  Cs  9    0.007766       -0.000785       -0.004270
#              -0.007182                        0.004358
#                                              -0.002968
#  56  Ba  2    NA
#  56  Ba 10   -0.003126        0.000335       -0.004356
#              -0.000882                        0.008781
#                                               0.000580
#  57  La  3    NA
#  57  La 11   -0.004289       -0.000216       -0.011378
#               0.005248       -0.000330       -0.036425
#                                               0.000113
#                                              -0.002045
#  57  La 29    NA
#  58  Ce  4    NA
#  58  Ce 12   -0.000363       -0.000431       -0.010483
#              -0.003843       -0.000345       -0.031742
#                                              -0.007052
#                                               0.017462
#  58  Ce 30   -0.002957       -0.004674       -0.008319
#               0.055344       -0.001552        0.007883
#              -0.003852        0.000359        0.006807
#               0.003950                        0.027425
#               0.016185
#  59  Pr  5    NA
#  59  Pr 13   -0.004973        0.001134        0.005210
#               0.008801        0.000403        0.033944
#                                               0.005398
#                                               0.013001
#  59  Pr 31    NA
#  60  Nd  6    NA
#  60  Nd 14   -0.003200        0.000445        0.000092
#               0.003814        0.000312        0.008276
#                                               0.007208
#                                               0.009062
#  60  Nd 32    NA
#  61  Pm  7    NA
#  61  Pm 15   -0.003357        0.000462        0.003203
#               0.004412        0.000325        0.002101
#                                               0.002998
#                                               0.009481
#  61  Pm 33    NA
#  62  Sm  8    NA
#  62  Sm 16   -0.003100        0.000402        0.002490
#               0.004167        0.000309        0.008569
#                                              -0.004704
#                                               0.002967
#  62  Sm 34    NA
#  63  Eu  9    NA
#  63  Eu 17   -0.003341        0.000527        0.004234
#               0.005659        0.000316        0.016960
#                                               0.005081
#                                               0.006236
#  63  Eu 35    NA
#  64  Gd 10    NA
#  64  Gd 18   -0.003402        0.000402       -0.001461
#               0.003855        0.000338        0.010252
#                               0.000300       -0.002222
#                                               0.004960
#  64  Gd 36    NA
#  65  Tb 11    NA
#  65  Tb 19    0.003309       -0.000473       -0.002498
#              -0.004273       -0.000312       -0.020465
#                                              -0.000750
#                                              -0.003172
#  65  Tb 37    NA
#  66  Dy 12    NA
#  66  Dy 20    0.003377       -0.000439       -0.002277
#              -0.003785       -0.000309       -0.024839
#                                              -0.002421
#                                               0.004763
#  66  Dy 38    NA
#  67  Ho 13    NA
#  67  Ho 21    0.003180       -0.000412       -0.002367
#              -0.003746       -0.000307       -0.014571
#                                              -0.003181
#                                               0.003149
#  67  Ho 39    NA
#  68  Er 14    NA
#  68  Er 22    0.003081       -0.000380       -0.000571
#              -0.003850       -0.000297       -0.010912
#                                              -0.003185
#                                               0.004940
#  68  Er 40    NA
#  69  Tm 15    NA
#  69  Tm 23    0.003162       -0.000488       -0.004273
#              -0.003413       -0.000309       -0.035576
#                                               0.002982
#                                               0.004359
#  69  Tm 41    NA
#  70  Yb 16    NA
#  70  Yb 24    0.003035       -0.000454       -0.016796
#              -0.003958        0.000300       -0.008765
#                                              -0.004583
#                                              -0.019249
#  70  Yb 42    NA
#  71  Lu 17    NA
#  71  Lu 25   -0.003213        0.000609        0.021686
#               0.007048        0.000523       -0.008370
#                               0.000305        0.013789
#                                               0.017491
#  71  Lu 43    NA
#  72  Hf  4    NA
#  72  Hf 12   -0.004084        0.000798       -0.012292
#               0.005553        0.000623        0.051417
#                                              -0.007574
#                                               0.007676
#  73  Ta  5        ==          0.000364       -0.050107
#                              -0.000321        0.009054
#                                              -0.033515
#                                              -0.038775
#  73  Ta 13   -0.003767        0.000505       -0.010519
#               0.003225        0.000452        0.053245
#                                              -0.005796
#                                              -0.006709
#  74  W   6        ==          0.000609       -0.087726
#                               0.000356       -0.046208
#                                              -0.025752
#                                              -0.009194
#  74  W  14   -0.003012        0.000470       -0.007199
#               0.003396        0.000438        0.038079
#                                              -0.004130
#                                              -0.003505
#  75  Re  7        ==          0.000410       -0.047803
#                              -0.000042        0.003322
#                                              -0.021132
#                                              -0.009663
#  75  Re 15   -0.003140        0.000437       -0.001334
#               0.003133        0.000370        0.033716
#                                              -0.002256
#                                              -0.000444
#  76  Os  8        ==          0.000460       -0.020951
#                               0.000365       -0.002028
#                                              -0.000139
#                                               0.016363
#  76  Os 16   -0.003261        0.000431        0.001362
#               0.003077        0.000408        0.037686
#                                              -0.001709
#                                              -0.000077
#  77  Ir  9        ==          0.000318       -0.015433
#                               0.000308        0.000615
#                                              -0.000128
#                                               0.001964
#  77  Ir 17   -0.003106        0.000381        0.002366
#               0.002711        0.000370        0.022085
#                                              -0.001495
#                                              -0.000170
#  78  Pt 10        ==         -0.000490        0.011829
#                              -0.000556       -0.118239
#                                               0.005546
#                                              -0.004873
#  78  Pt 18   -0.003498        0.000498        0.000863
#               0.003192        0.000447        0.072276
#                                               0.000860
#                                               0.000215
#  79  Au  1    NA
#  79  Au 11        ==         -0.000374        0.010219
#                              -0.000406       -0.063257
#                                               0.004619
#                                              -0.002318
#  79  Au 19   -0.003951        0.000457       -0.001568
#               0.003230        0.000395        0.012799
#                                              -0.001085
#                                              -0.002592
#  80  Hg  2    NA
#  80  Hg 12        ==         -0.000345       -0.014821
#                              -0.000339        0.001424
#                                              -0.003037
#                                              -0.011868
#  80  Hg 20   -0.000262        0.000125       -0.019143
#              -0.002690       -0.000336       -0.083504
#                                              -0.026101
#                                              -0.030443
#  81  Tl  3        ==         -0.000315       -0.003556
#                              -0.000336        0.061656
#                                               0.010693
#                                               0.048110
#  81  Tl 13   -0.003646       -0.000317       -0.014468
#                              -0.000327       -0.004019
#                                               0.005234
#                                               0.001944
#  81  Tl 21   -0.003461        0.000348       -0.003208
#              -0.003051        0.000357        0.000393
#               0.005982                        0.003536
#                                              -0.007637
#  82  Pb  4        ==         -0.000277        0.020351
#                               0.000371       -0.002078
#                                               0.020046
#                                               0.015009
#  82  Pb 14   -0.003710       -0.000287       -0.031298
#                              -0.000379       -0.005714
#                                               0.006065
#                                               0.005688
#  82  Pb 22   -0.003182        0.000321        0.018857
#              -0.003027        0.000415       -0.000182
#               0.003864                        0.040354
#                                               0.006206
#  83  Bi  5        ==         -0.000320        0.242415
#                               0.000741        0.052795
#                                               0.011034
#                                               0.071453
#  83  Bi 15   -0.003630       -0.000267       -0.019706
#                              -0.000381       -0.001563
#                                               0.024925
#                                               0.018600
#  83  Bi 23   -0.003518        0.000356        0.006108
#              -0.003423        0.000706       -0.006851
#               0.004649                        0.076339
#                                               0.021604
#  84  Po  6        ==         -0.000293        0.121757
#                               0.000547        0.001528
#                                               0.003098
#                                               0.050426
#  84  Po 16    0.003332        0.000312       -0.015897
#                               0.000408       -0.017570
#                                               0.055363
#                                               0.025117
#  84  Po 24   -0.003156        0.000359       -0.073700
#              -0.001426        0.000436       -0.028889
#               0.003389                        0.077869
#                                               0.015019
#  85  At  7        ==          0.000392        0.047910
#                               0.000462        0.001877
#                                              -0.026466
#                                               0.041330
#  85  At 17   -0.000392        0.000227       -0.020783
#                              -0.000248       -0.022704
#                                               0.093121
#                                               0.030373
#  85  At 25    0.004252       -0.000310       -0.060846
#               0.002974        0.000365       -0.033640
#              -0.003232                        0.147706
#                                               0.032709
#  86  Rn  8        ==         -0.000130        0.016157
#                               0.000355       -0.002437
#                                               0.009333
#                                               0.035505
#  86  Rn 18    0.004215        0.000091        0.005048
#                               0.000667       -0.042580
#                                               0.188426
#                                               0.043042
#  86  Rn 26    0.004009       -0.000317       -0.068071
#              -0.003203        0.000663       -0.062866
#               0.002702                        0.259189
#                                               0.051927
#
########################################################################################
H GTH-SCAN-q1 GTH-MGGA-q1
    1    0    0    0
    0.20056928322660       2   -4.17724313510555    0.72381629178602
       0

He GTH-SCAN-q2 GTH-MGGA-q2
    2    0    0    0
    0.20017350382674       2   -9.12390577580226    1.70320762669983
       0

Li GTH-SCAN-q1 GTH-MGGA-q1
    1    0    0    0
    0.75541316517943       2   -1.78434791019166    0.28081020955661
       2
    0.67657009456191       1    1.78174412727145
    1.10941125620125       1   -0.01501291675507

Li GTH-SCAN-q3 GTH-MGGA-q3
    3    0    0    0
    0.40100372328742       4  -14.07817603160402    9.63513634294690   -1.78470166666961    0.08515912392771
       0

Be GTH-SCAN-q2 GTH-MGGA-q2
    2    0    0    0
    0.72774017832098       2   -1.99040787442579    0.27906714244527
       2
    0.51008573822204       1    3.07328597181280
    0.78444573123275       1   -0.01313683749087

Be GTH-SCAN-q4 GTH-MGGA-q4
    4    0    0    0
    0.32524989359550       4  -24.07021624785406   17.27474529197872   -3.33651072453181    0.16581712182931
       0

B  GTH-SCAN-q3 GTH-MGGA-q3
    2    1    0    0
    0.41080523218985       2   -5.91679458826337    0.86608607806088
       1
    0.37321004713631       1    6.27806706752545

C  GTH-SCAN-q4 GTH-MGGA-q4
    2    2    0    0
    0.33502673927296       2   -8.82261584946296    1.29911666155566
       1
    0.30379830500542       1    9.62576289910018

N  GTH-SCAN-q5 GTH-MGGA-q5
    2    3    0    0
    0.28477014486140       2  -12.41843452828715    1.85074905967234
       1
    0.25627476032102       1   13.64509498339761

O  GTH-SCAN-q6 GTH-MGGA-q6
    2    4    0    0
    0.24033250028114       2  -16.79498564058792    2.45245698380706
       1
    0.22149979669698       1   18.44156246860022

F  GTH-SCAN-q7 GTH-MGGA-q7
    2    5    0    0
    0.21347161887329       2  -21.46822156949575    3.12591191175553
       1
    0.19566537494497       1   23.64858394694000

Ne GTH-SCAN-q8 GTH-MGGA-q8
    2    6    0    0
    0.19141996802117       2  -27.11222520809591    4.30357383911597
       2
    0.17689387887134       2   28.17624869427857    0.83365603654603
                                                   -1.07689596538269
    0.19537114011569       1   -0.20130990571866

Na GTH-SCAN-q1 GTH-MGGA-q1
    1    0    0    0
    0.88048285935294       1   -1.16532343320595
       2
    0.67323334612295       2    1.88282252649498   -0.22542596259290
                                                    0.62529957573600
    0.85340966274162       1    0.53911333578088

Na GTH-SCAN-q9 GTH-MGGA-q9
    3    6    0    0
    0.23360236597604       2    0.44644914176520   -0.16927317855329
       2
    0.13553488192552       1   34.49270817997893
    0.13791196072879       1  -14.20115897493337

Mg GTH-SCAN-q2 GTH-MGGA-q2
    2    0    0    0
    0.61132392583606       1   -2.40545949696152
       2
    0.59542116814729       2    3.46747033819319   -0.80186357252956
                                                    1.01340295927101
    0.70059485216785       1    0.82836073097679

Mg GTH-SCAN-q10 GTH-MGGA-q10
    4    6    0    0
    0.19372779333210       2  -20.56419187236079    3.01926823842326
       2
    0.14182340833530       1   41.04873469590139
    0.10355204733289       1   -9.97987325563792

Al GTH-SCAN-q3 GTH-MGGA-q3
    2    1    0    0
    0.45007761891293       1   -7.50837523298848
       2
    0.48696905536680       2    6.95380728742645   -1.88883442449867
                                                    2.44496336648824
    0.55785897345344       1    1.85053843275324

Si GTH-SCAN-q4 GTH-MGGA-q4
    2    2    0    0
    0.44144916884150       1   -6.12520711704447
       2
    0.43553254372095       2    8.95353337591270   -2.70627128244285
                                                    3.51070859382511
    0.49540951084677       1    2.43136607001531

P  GTH-SCAN-q5 GTH-MGGA-q5
    2    3    0    0
    0.43191824141721       1   -5.57496471403583
       2
    0.39583045957364       2   10.97430311191925   -3.47035859439566
                                                    4.52084425216640
    0.44677792383602       1    3.05563425781939

S  GTH-SCAN-q6 GTH-MGGA-q6
    2    4    0    0
    0.41222718242117       1   -5.96212740474943
       2
    0.36438064089501       2   13.13727807062324   -4.24182927515101
                                                    5.47288765019090
    0.40723005597209       1    3.70793825371695

Cl GTH-SCAN-q7 GTH-MGGA-q7
    2    5    0    0
    0.40440557836601       1   -6.39475264481691
       2
    0.33924705103320       2   15.22693926564498   -4.93452088783511
                                                    6.36737430491932
    0.37724510282192       1    4.33291556104849

Ar GTH-SCAN-q8 GTH-MGGA-q8
    2    6    0    0
    0.39671344046461       1   -7.06193825137388
       2
    0.31847461524853       2   17.24676601119171   -5.58549946584996
                                                    7.22776926111359
    0.35251291977940       1    4.97615429648403

K GTH-SCAN-q9 GTH-MGGA-q9
    3    6    0    0
    0.38221586973835       2   -3.33991536033833   -1.16806584881064
       2
    0.30649553543567       2   17.87239807074655   -5.62264400662828
                                                    7.24825645315145
    0.31712787583356       2    7.34643826640445   -2.46094562514548
                                                    2.89992042944576

Ca GTH-SCAN-q10 GTH-MGGA-q10
    4    6    0    0
    0.36736517234231       2   -4.09720339022897   -1.66163952123648
       3
    0.28992519142892       2   20.48520710167015   -7.12978520210316
                                                    9.17393398210596
    0.32692986839315       2    5.80990124644633   -0.42875330562260
                                                    0.48657065110227
    0.68209098528210       1    0.01947890310074

Sc GTH-SCAN-q3 GTH-MGGA-q3
    2    0    1    0
    0.77499500775319       1    0.00521438896865
       3
    0.60531801385609       3    2.16419886526857   -0.72072617699187    0.31890665339576
                                                    1.97710034083340   -0.88611554392461
                                                                        1.41854720054750
    0.87445399559497       2    0.91715529210486   -0.11857942448415
                                                    0.21458784781306
    0.45653656558789       1   -3.88870897578923

Sc GTH-SCAN-q11 GTH-MGGA-q11
    4    6    1    0
    0.38518130728413       2    8.11537843880314   -0.53410623577169
       3
    0.34974473387750       2    2.51954589859767    3.02108679226846
                                                   -3.57646920682207
    0.24666842911000       2   -2.65918607970258    7.99214132329777
                                                   -9.47602738885570
    0.25451100350162       1   -8.16625478968693

Ti GTH-SCAN-q4 GTH-MGGA-q4
    2    0    2    0
    0.72683985081003       0
       3
    0.53683463477309       3    1.80893759332718   -0.58039317589580    0.86215853729536
                                                    1.64429036705361   -2.31298969051397
                                                                        3.68547761249439
    0.78128332902208       2    0.99328341920277   -0.04675777164111
                                                    0.27801224322727
    0.41248834493226       1   -4.76243630623038

Ti GTH-SCAN-q12 GTH-MGGA-q12
    4    6    2    0
    0.38300965389957       2    8.69526962380773   -0.69130398136282
       3
    0.32535306838298       2    2.49370385691556    3.69297179681161
                                                   -4.49419494638446
    0.25460783706014       2   -4.62952832752021    8.87087769105041
                                                  -10.49552627066998
    0.24470423408872       1   -9.41064468800323

V GTH-SCAN-q5 GTH-MGGA-q5
    2    0    3    0
    0.69469092635647       0
       3
    0.52321673277694       3    2.19372151883872   -0.73573491771736    0.73159117733466
                                                    1.88429297382944   -1.93302827381022
                                                                        3.08546306838178
    0.75694189632660       2    1.10623881940895   -0.13643326639878
                                                    0.31150976372799
    0.37726223805327       1   -5.82853607170082

V GTH-SCAN-q13 GTH-MGGA-q13
    4    6    3    0
    0.37910716507788       2    7.47780366970982   -0.35840521121907
       3
    0.31555905661542       2    1.84822981690567    4.72569214939990
                                                   -5.78698746671914
    0.25935654605563       2   -5.96767335891286    9.35863965209375
                                                  -11.05929619201291
    0.24329511037312       1   -9.49125312787968

Cr GTH-SCAN-q6 GTH-MGGA-q6
    2    0    4    0
    0.63919208841177       0
       3
    0.50423265019241       3    2.11058062714305   -0.87519507745652    0.72676721461709
                                                    2.09644670895697   -1.85217287508068
                                                                        3.04369220553840
    0.72643403103230       2    1.15271177257268   -0.10306582664179
                                                    0.28001784016626
    0.35170320805491       1   -6.61638034792544

Cr GTH-SCAN-q14 GTH-MGGA-q14
    3    6    5    0
    0.37891377368661       2    5.67838230842240   -0.67213150884013
       3
    0.30579553612902       2    2.61357529851113    4.97446736060341
                                                   -5.99297765032078
    0.27318147744582       2   -4.48042103453643    7.33141394435422
                                                   -8.65283054509246
    0.22082513171589       1  -11.19639864126030

Mn GTH-SCAN-q7 GTH-MGGA-q7
    2    0    5    0
    0.62720843700052       0
       3
    0.48212685856804       3    2.91929548629848   -0.94566574115022    0.61776952378721
                                                    2.62992328260807   -1.61347551700753
                                                                        2.67645610247249
    0.66865482431027       2    1.35298050375379   -0.10980192971001
                                                    0.38951841058786
    0.32911806762507       1   -7.80703851940826

Mn GTH-SCAN-q15 GTH-MGGA-q15
    4    6    5    0
    0.36570332726314       2    6.14551381477866   -0.36118392914568
       3
    0.28746407301469       2    1.70340299247234    6.35684256498601
                                                   -7.81905865606187
    0.25882455064722       2   -6.45032861475615    7.98335990196429
                                                   -9.42640186623190
    0.22313243347326       1  -11.61742854648963

Fe GTH-SCAN-q8 GTH-MGGA-q8
    2    0    6    0
    0.59497243640955       1    0.15776074928985
       3
    0.45662067189239       3    3.29500556091648   -1.01065578038415    0.78740207621881
                                                    2.66952345952892   -2.03777707736257
                                                                        3.28657835745431
    0.63919804235625       2    1.54297683384667   -0.10530759775326
                                                    0.33363612751017
    0.30830676756980       1   -9.15210725198937

Fe GTH-SCAN-q16 GTH-MGGA-q16
    4    6    6    0
    0.35913133224674       2    6.77550744647402   -0.19360126302093
       3
    0.27223705912953       2    0.57071876106084    7.91313814415294
                                                   -9.96305602404581
    0.25212482614145       2   -7.88700649258342    7.69707955858247
                                                   -9.14311803998193
    0.22325860074463       1  -12.41264199797850

Co GTH-SCAN-q9 GTH-MGGA-q9
    2    0    7    0
    0.57671986511277       1    0.05593817047520
       3
    0.44185835633123       3    4.59775128119470   -1.11916732095745    0.75294985383339
                                                    3.00306881785572   -1.94675999852394
                                                                        3.10439593021104
    0.60419289541378       2    1.88914180270339   -0.05554454999038
                                                    0.29451564516453
    0.29353399921384       1  -10.16473877934950

Co GTH-SCAN-q17 GTH-MGGA-q17
    4    6    7    0
    0.35322455770025       2    4.80574657439179    0.49395017016871
       3
    0.26777764990820       2   -0.60996620921204    9.28629469508445
                                                  -11.60569139029857
    0.27010572973005       2   -6.84521134418516    5.68013254117222
                                                   -6.72368488833237
    0.22321594070001       1  -12.34836306971833

Ni GTH-SCAN-q10 GTH-MGGA-q10
    2    0    8    0
    0.55633216876655       1    0.06232913425938
       3
    0.42685316253224       3    4.14471021868452   -1.19903906718923    0.73987663558517
                                                    3.17569630831362   -1.90683967937199
                                                                        3.08769632231583
    0.58416894936391       2    1.84170335245118   -0.12821911933415
                                                    0.39118622536806
    0.27958648826656       1  -11.39410143523798

Ni GTH-SCAN-q18 GTH-MGGA-q18
    4    6    8    0
    0.34869920831751       2    2.09234130237462    0.67029865454995
       3
    0.25550575258922       2    0.51157018720978    9.97022896643679
                                                  -12.53531780960387
    0.22550275368900       2  -11.13231784499313   12.42956613898768
                                                  -14.78461994214731
    0.21574809487899       1  -12.65009591696475

Cu GTH-SCAN-q11 GTH-MGGA-q11
    2    0    9    0
    0.52937086100808       0
       3
    0.43193631605802       3    9.74701138784658   -6.47017908504449    1.93596804967349
                                                   11.49969531363611   -4.99861765385005
                                                                        3.99237947303980
    0.56314965729272       2    2.53821450361747   -0.78453824918670
                                                    0.92870411947314
    0.26450678544392       1  -12.83411593688681

Cu GTH-SCAN-q19 GTH-MGGA-q19
    3    6   10    0
    0.34513141240952       2    0.11915507790046    1.24956493318503
       3
    0.25099971522303       2    0.64060799529159   10.73582307622284
                                                  -13.81150509164210
    0.22118942411261       2  -13.04149855330490   14.74763879635485
                                                  -17.43706132736230
    0.21566088569765       1  -12.47878235723445

Zn GTH-SCAN-q12 GTH-MGGA-q12
    2    0   10    0
    0.50704497116043       0
       3
    0.40153914886972       3   11.46099633708794   -8.79185939119227    3.14506021791593
                                                   16.47812340695654   -8.12056447050132
                                                                        6.45423953500616
    0.54401594722967       2    2.58674919349177   -0.59303624719383
                                                    0.70433376491511
    0.25092539476125       1  -14.48329818412980

Zn GTH-SCAN-q20 GTH-MGGA-q20
    4    6   10    0
    0.34344346192720       2    0.58333321725601    1.25330713376575
       3
    0.23981875136194       2   -1.51528395750202   12.79313494096875
                                                  -16.29937791574543
    0.25002623770795       2   -9.71906007518479    8.07114301332602
                                                   -9.56306533042868
    0.20986910614074       1  -14.21273208161458

Ga GTH-SCAN-q3 GTH-MGGA-q3
    2    1    0    0
    0.55463852914866       0
       3
    0.56598504538055       3    2.23001966741711    1.03244461489131   -0.76062659485741
                                                   -2.58616304500501    1.96393548650050
                                                                       -1.55877294232350
    0.64697564990991       2    0.30018816181703    0.61341388294669
                                                   -0.76229424294472
    0.99426814125348       1   -0.04859753117979

Ga GTH-SCAN-q13 GTH-MGGA-q13
    2    1   10    0
    0.48748000165387       0
       3
    0.41709779009841       3   10.46073570511626   -4.92177219521996    0.87070736240776
                                                    7.77069232324622   -2.24815175507539
                                                                        1.80474719509459
    0.57017678242224       2    1.77931291026900    0.19586003491142
                                                   -0.23146392862878
    0.23810864379511       1  -16.26294626960137

Ga GTH-SCAN-q21 GTH-MGGA-q21
    4    7   10    0
    0.34120205162763       3    0.72882860036717    1.22192426091086   -0.01548948723758
       3
    0.23642785200546       2   -1.07809276702342   12.79313125581300
                                                  -16.90136261497377
    0.24298688469430       2  -10.29154427200381    8.07114215488146
                                                   -9.57702751659942
    0.20945902247946       1  -14.25605395706116

Ge GTH-SCAN-q4 GTH-MGGA-q4
    2    2    0    0
    0.52556815833424       0
       3
    0.42311810008549       3    7.55093082921381   -0.58810801282110   -1.44797711818606
                                                   -1.62268263673085    3.73865675952566
                                                                       -2.98788007777074
    0.56722376478040       2    0.89372427980613    0.54687552471069
                                                   -0.67686419026640
    0.81458072281169       1    0.10923705019027

Ge GTH-SCAN-q14 GTH-MGGA-q14
    2    2   10    0
    0.48763699035221       0
       3
    0.40862243684138       3   10.42414164133329   -4.92175267030526    0.87071709790447
                                                    7.70582546728927   -2.24818931964501
                                                                        1.72326572904943
    0.56489069118001       2    1.66797330006742    0.19583384390026
                                                   -0.28354672607687
    0.23832198254889       1  -16.45818444724735

Ge GTH-SCAN-q22 GTH-MGGA-q22
    4    8   10    0
    0.32542212840127       2    0.46440278937714    1.37002697241961
       3
    0.23609307566819       2   -0.99043777140252   12.79313831289040
                                                  -16.89497856149480
    0.23274886945907       2  -10.10204412865873    8.07114557853782
                                                   -9.68231938308610
    0.20708471316172       1  -13.95460037376398

As GTH-SCAN-q5 GTH-MGGA-q5
    2    3    0    0
    0.49756358270338       0
       3
    0.45661995241141       3    5.52809151445502    0.03512558375013   -1.06108404589674
                                                   -1.77384064803365    2.73970245629087
                                                                       -2.17567124815527
    0.55449584313614       2    1.00268523168046    0.62920765244829
                                                   -0.75652915334968
    0.70376949156275       1    0.26495983351779

As GTH-SCAN-q15 GTH-MGGA-q15
    2    3   10    0
    0.49107733382017       0
       3
    0.39542818933985       3   10.89703458768542   -4.92176410629220    0.87070150076268
                                                    7.95825691139604   -2.24814399883322
                                                                        1.51899357250338
    0.54540475644989       2    1.74125147488018    0.19585928487244
                                                   -0.33290321133294
    0.24038961758601       1  -16.56946787887480

As GTH-SCAN-q23 GTH-MGGA-q23
    4    9   10    0
    0.31233681015537       2    0.62823915681798    1.16391332504275
       3
    0.23792478698882       2   -0.98360422860465   12.79313559001669
                                                  -16.93281702206617
    0.22200208393605       2  -10.24858542923274    8.07114389569923
                                                   -9.57682654967388
    0.20222059081950       1  -14.12483572674032

Se GTH-SCAN-q6 GTH-MGGA-q6
    2    4    0    0
    0.49383949566494       0
       3
    0.43351933352727       3    6.53183239440370   -0.22271013948296   -1.19613320221180
                                                   -1.65767725794195    3.08839228992791
                                                                       -2.45027636065839
    0.46899143332560       2    2.27080197283961    0.36533577433885
                                                   -0.43211491280469
    0.62574203710168       1    0.40321356043132

Se GTH-SCAN-q16 GTH-MGGA-q16
    2    4   10    0
    0.46346178977026       0
       3
    0.37709706358167       3   10.56582587944046   -4.92177985141763    0.87071312880091
                                                    7.66087310398418   -2.24814940177469
                                                                        1.80040177932238
    0.52901486576690       2    1.70250131496306    0.19585989779635
                                                   -0.35930063013486
    0.23783563226612       1  -16.65097869103353

Se GTH-SCAN-q24 GTH-MGGA-q24
    4   10   10    0
    0.30705080239280       2    0.80978749960217    1.06565710955393
       3
    0.23767707480545       2   -0.60758716119710   12.79313757856249
                                                  -17.40391927684417
    0.21204237534607       2  -10.54966288778807    8.07114336920754
                                                   -9.69016767067254
    0.20947041197940       1  -12.72349311909969

Br GTH-SCAN-q7 GTH-MGGA-q7
    2    5    0    0
    0.49358944988428       0
       3
    0.43866713548253       3    6.07891296978441    0.33049900166728   -1.23838306975131
                                                   -2.44090695684937    3.19748959176031
                                                                       -2.53794060627881
    0.45167643815299       2    2.45941861816311    0.52275325649975
                                                   -0.61856424831783
    0.56703506135520       1    0.54405117331293

Br GTH-SCAN-q17 GTH-MGGA-q17
    2    5   10    0
    0.45831121506855       0
       3
    0.38687615846915       3   10.40438703920607   -4.92175639113250    0.87069430270875
                                                    7.67646162494282   -2.24813858819491
                                                                        1.30263347018729
    0.51226560531163       2    1.60505213511128    0.19586043882222
                                                   -0.37948627014537
    0.24220470312393       1  -16.46367024281235

Br GTH-SCAN-q25 GTH-MGGA-q25
    4   11   10    0
    0.29944472559145       2    0.56634641437314    1.08805536216189
       3
    0.24588469282982       2   -0.57141919260903   12.79313909520286
                                                  -18.26327444821829
    0.19625406117053       2  -11.40524070553986    8.07114196589650
                                                   -9.92838391789047
    0.20691647858643       1  -13.33018670180434

Kr GTH-SCAN-q8 GTH-MGGA-q8
    2    6    0    0
    0.49906867642018       0
       3
    0.42159717430818       3    6.46539294890223    0.53866348889254   -1.50260314576391
                                                   -3.13839046665929    3.87969977715904
                                                                        -3.07929145009533
    0.43229592525892       2    2.60158459688272    0.70510969123849
                                                   -0.83428007914619
    0.52334731374771       1    0.63556731309540

Kr GTH-SCAN-q18 GTH-MGGA-q18
    2    6   10    0
    0.44686408679574       0
       3
    0.37502272940973       3   10.29059042369104   -4.92177869417818    0.87071499306728
                                                    7.69712841066735   -2.24815500482217
                                                                        1.37955434102145
    0.45581900679516       2    1.95078576759430    0.19585930526421
                                                   -0.28675799515699
    0.24072398121551       1  -16.89024145803955

Kr GTH-SCAN-q26 GTH-MGGA-q26
    4   12   10    0
    0.30065035096215       2    0.85833516488058    0.68079127443716
       3
    0.22187663793353       2   -0.66318527933674   12.79313004109992
                                                  -17.95816226181608
    0.33077301448477       2  -10.10604255112921    8.07114389328882
                                                   -9.44778875641294
    0.20279357472483       1  -14.24120470364036

Rb GTH-SCAN-q9 GTH-MGGA-q9
    3    6    0    0
    0.48791882549165       2    5.56338962307962   -0.77134371222179
       3
    0.28336979558057       2   21.43064879545804   -8.07866053366123
                                                   10.46853266192891
    0.28916835092789       2   12.26097908489890  -12.19854445954089
                                                   14.29911898311131
    0.54500681935462       1    0.34758455041954

Sr GTH-SCAN-q10 GTH-MGGA-q10
    4    6    0    0
    0.47879732223235       2    6.77384591730063   -1.02804478953496
       3
    0.27336091665839       2   21.47766563243280   -7.89903629606443
                                                   10.19436213891889
    0.27720343630344       2   11.75625562537615  -10.96577535480868
                                                   12.96959145529912
    0.51814386116737       1    0.31779287977569

Y GTH-SCAN-q3 GTH-MGGA-q3
    2    0    1    0
    0.61128275892483       2   -1.08079931288453    0.12647277753444
       3
    0.79192494418352       3    1.63125599487448   -0.58196321535369   -0.06608830434748
                                                    1.33367374721376    0.15854554048983
                                                                       -0.11452349698161
    0.92366506869397       2    0.86863505057558   -0.13743890010743
                                                    0.45921995196520
    0.66921993387027       2   -1.03733204704364    0.08363509142221
                                                   -0.14332360518149

Y GTH-SCAN-q11 GTH-MGGA-q11
    4    6    1    0
    0.47546354000593       2   12.17167785956815   -2.09952342786754
       3
    0.24399597909012       2   23.04613952374411   -8.32539320147111
                                                   10.39384586556616
    0.29010110142212       2    5.85621590732843   -5.85235317955655
                                                    6.78661373174896
    0.41513570279863       2    1.17860866917534   -1.31883367615845
                                                    1.46230635617007

Zr GTH-SCAN-q4 GTH-MGGA-q4
    2    0    2    0
    0.68119385144480       2   -0.64606234146268    0.07527746359408
       3
    0.66362120163926       3    1.48149669858046   -0.94499393266100    0.29585409280501
                                                    2.39455531987977   -0.76600086660976
                                                                        1.21622694980830
    0.88012837040534       2    1.08524488030757   -0.15130868422893
                                                    0.46733650096280
    0.62851006644983       2   -1.19013388925410   -0.08924397454517
                                                    0.17401289739063

Zr GTH-SCAN-q12 GTH-MGGA-q12
    4    6    2    0
    0.48008041708316       2    7.75142573357153   -1.68747439888063
       3
    0.25802600868160       2   23.01877902678875   -8.57192801748520
                                                   10.75708428386692
    0.28362709971101       2    8.59446798127713   -5.37735279503987
                                                    6.30252494963558
    0.56568296435389       2    0.02442285074449    0.27684277097599
                                                   -0.32116682765666

Nb GTH-SCAN-q5 GTH-MGGA-q5
    1    0    4    0
    0.72641665916458       2    4.15557935617954    0.00354431182290
       3
    0.69901023142804       2    1.92364987780589   -0.55864802483390
                                                    1.67171865516922
    0.88652074195604       2    0.37071416788516   -0.24861108936159
                                                    0.64043479173205
    0.51609328236041       2   -2.93089570653821    0.75587097521404
                                                   -1.63308746361223

Nb GTH-SCAN-q13 GTH-MGGA-q13
    3    6    4    0
    0.46197470691060       2   26.32475015405279   -4.52693950870152
       3
    0.32490337145308       2   -1.16145273250923    3.27790688692824
                                                   -4.28908108548245
    0.40426034415382       2   -0.66895228864165   -0.90782858536853
                                                    1.07510275555418
    0.42508961183960       2    1.49409729605919   -3.43004221876853
                                                    3.88750532060576

Mo GTH-SCAN-q6 GTH-MGGA-q6
    1    0    5    0
    0.70786368938019       2    8.30544329457811    0.02711867575564
       3
    0.68896289760552       2    2.23075749517436   -0.38826736058655
                                                    1.04565689197007
    0.81798551399529       2    0.57196788715278   -0.48949030538931
                                                    0.91798380204621
    0.45972532686716       2   -2.76648027937214    3.00196545612148
                                                   -6.86399087047789

Mo GTH-SCAN-q14 GTH-MGGA-q14
    3    6    5    0
    0.43345901454396       2   28.59259011257328   -4.69175118983028
       3
    0.32191463866015       2    0.15406927732725    2.76200502490737
                                                   -3.51903665238583
    0.41805340279338       2   -0.20048438503456   -0.72874358512329
                                                    0.86197107266580
    0.42055476014509       2    1.21685442265414   -2.68646210106647
                                                    3.03453697205406

Tc GTH-SCAN-q7 GTH-MGGA-q7
    1    0    6    0
    0.67767838033882       2   13.41493764763925    0.10136874574157
       3
    0.71163796811088       2    0.58100124029947   -0.16897091731743
                                                    0.36228460954424
    0.75997243699003       2    0.15716690724336   -0.24580721753663
                                                    0.67243322550503
    0.52318031736634       2   -6.10525571638944   -0.32714064235049
                                                    0.74317124017656

Tc GTH-SCAN-q15 GTH-MGGA-q15
    3    6    6    0
    0.43798517872108       2   27.31413441670715   -4.68120495127917
       3
    0.32901307091221       2   -0.41897176054931    3.34056709187867
                                                   -4.31832934525606
    0.42457595334127       2   -0.23899050928033   -0.82215024179480
                                                    0.93078703441879
    0.43205984351764       2    1.21889943677058   -2.67400899386094
                                                    3.02148379042143

Ru GTH-SCAN-q8 GTH-MGGA-q8
    1    0    7    0
    0.60052733863889       1    5.07327955635145
       3
    0.64896686824371       2    4.61254964411661   -1.80336573818510
                                                    2.36033129349951
    0.68429106290460       2    3.27636952048114   -2.42086135293514
                                                    2.86506581867738
    0.37969794669303       2  -15.45232954599606   13.58045057909573
                                                  -15.39587849902841

Ru GTH-SCAN-q16 GTH-MGGA-q16
    3    6    7    0
    0.44080593584205       2   26.81438439378233   -4.83716729506462
       3
    0.34392698169643       2   -0.52591384689453    3.71548972887194
                                                   -4.79687601213777
    0.43010661884711       2    0.06604698635680   -1.27757229442219
                                                    1.44019112634600
    0.43872669737878       2    1.50938804023149   -2.94305370287022
                                                    3.33831211855477

Rh GTH-SCAN-q9 GTH-MGGA-q9
    1    0    8    0
    0.61576026794173       1    4.90499047877508
       3
    0.62176349054540       2    5.13210604933336   -1.92978858518048
                                                    2.57017264274705
    0.70343225334837       2    2.58719653112873   -1.27954353461718
                                                    1.53138438569643
    0.37292556709510       2  -16.80232996960445   14.71821598792860
                                                  -16.62856499073333
Rh GTH-SCAN-q17 GTH-MGGA-q17
    3    6    8    0
    0.43600800743166       2   26.13440724320014   -5.02459161677956
       3
    0.32816317718654       2   -0.44994780702201    3.89280374048607
                                                   -5.00248018341810
    0.37938129822899       2   -0.94915323206472   -0.00569622228244
                                                   -0.04935845955027
    0.43380184408510       2    1.57172217643401   -3.01216521902806
                                                    3.41377308747686

Pd GTH-SCAN-q10 GTH-MGGA-q10
    1    0    9    0
    0.60717843413470       1    5.34496907140315
       3
    0.60027050688277       2    5.43857712832794   -2.06239106271222
                                                    2.65367487981903
    0.66879818591265       2    2.79433229667177   -1.51043188125525
                                                    1.81209651905468
    0.44002724123548       2   -3.67127736368430   -0.80738901026200
                                                    0.81809362516177

Pd GTH-SCAN-q18 GTH-MGGA-q18
    2    6   10    0  
    0.42077807918661       2   26.77622554926719   -4.97681316466915
       3
    0.32088179229720       2   -0.69690635151099    4.38486464715508
                                                   -5.56542356839915
    0.41422151653949       2   -0.04615311370011   -1.07795255064736
                                                    1.18009453044409
    0.44007046095973       2    1.62509631131583   -3.09368779477406
                                                    3.50200759007333

Ag GTH-SCAN-q11 GTH-MGGA-q11
    1    0   10    0
    0.57757006281773       1   -0.01207471951354
       3
    0.52864745289612       3    9.59411621540351   -5.27423613668695    0.99704410709328
                                                    8.43108620254381   -2.57436432595197
                                                                        2.12133879861991
    0.62811265705902       2    3.90688150318520   -1.68547330060634
                                                    2.06130142650242
    0.40282325947992       2   -2.69173370381799   -0.43354845809758
                                                    0.39191655531787

Ag GTH-SCAN-q19 GTH-MGGA-q19
    3    6   10    0
    0.40133655627904       3   24.10218394181515   -3.87648142857945   -0.11358832846277
       3
    0.30576269818416       2    0.68166154381854    4.27999985237519
                                                   -5.34169023761413
    0.42235261989375       2   -0.18889881920607   -0.61000021711116
                                                    0.78600039434288
    0.46219038174771       2    1.73954022006252   -3.08999990228715
                                                    3.58176283415872

Cd GTH-SCAN-q12 GTH-MGGA-q12
    2    0   10    0
    0.55098420881331       1    3.65424961229707
       3
    0.49456388889129       3   10.17147207698301   -6.50695551833817    1.80457639488949
                                                   11.34361957097065   -4.65939800515321
                                                                        3.74131889857402
    0.60515305494221       2    4.01415726284860   -1.88365225686405
                                                    2.22889515173529
    0.37928182820781       2   -6.13438794528560    1.53571042426775
                                                   -1.73886051393722

Cd GTH-SCAN-q20 GTH-MGGA-q20
    4    6   10    0
    0.40152315212404       2   23.91954794853782   -4.07635486421027
       3
    0.32741008305129       2    0.51286208253811    4.28489972383467
                                                   -5.75848114656504
    0.41283698144115       2   -0.22407834725735   -0.61439998049706
                                                    0.66185999082531
    0.46031526971741       2    1.75381802076515   -3.09369991894456
                                                    3.51177010999664

In GTH-SCAN-q3 GTH-MGGA-q3
    2    1    0    0
    0.59678468606733       1    5.12929969465072
       3
    0.68487042046833       3    0.56230255248497    0.99900353321707   -0.48094094591624
                                                   -2.08660830085484    1.24178174423108
                                                                       -0.98563531840584
    0.76192266605222       2    0.07802864562237    0.42328388619952
                                                   -0.53037186112676
    1.14693973456500       1    0.02896884670012

In GTH-SCAN-q13 GTH-MGGA-q13
    2    1   10    0
    0.53255584618264       1    3.32680381569891
       3
    0.48258049825989       3   11.26260492621481   -6.57350630128148    1.50686143727491
                                                   10.95998915611932   -3.89070121565974
                                                                        3.08999070905414
    0.57066204386852       2    4.75951740037097   -2.21706215606091
                                                    2.63463427745713
    0.37939936051545       2   -4.00881060663654   -0.84012855496027
                                                    0.95363213452593

In GTH-SCAN-q21 GTH-MGGA-q21
    4    7   10    0
    0.39760791967550       3   24.24732218372502   -4.27702968380851   -0.06874267989417
       3
    0.32146433774386       2    0.70787537951102    4.28490911964672
                                                   -5.77533856877572
    0.40877072346468       2   -0.13957886600851   -0.61441703174717
                                                    0.66095096661847
    0.45470352374048       2    1.75108741109583   -3.09368910487340
                                                    3.55989159118598

Sn GTH-SCAN-q4 GTH-MGGA-q4
    2    2    0    0
    0.60124554614547       1    6.24988457045899
       3
    0.56700689417386       3    1.56153098081338    1.47004469317544   -1.17857899101670
                                                   -3.81475066817602    3.04307345097389
                                                                       -2.40956453313151
    0.63959943189265       2    0.50205889584086    0.40325689171068
                                                   -0.48966768356223
    0.99094155247032       1    0.08470346835895

Sn GTH-SCAN-q14 GTH-MGGA-q14
    2    2   10    0
    0.51696730588860       1    3.12791078480496
       3
    0.48089913785872       3   11.02819520893651   -6.57350103697060    1.50686077279891
                                                   10.72141803675497   -3.89070489294927
                                                                       3.01858624781204
    0.56065714319963       2    4.66022075809836   -2.21706557285019
                                                    2.57555679327184
    0.37520990820431       2   -3.93508111356507   -0.84012806030548
                                                    0.95318590742868

Sn GTH-SCAN-q22 GTH-MGGA-q22
    4    8   10    0
    0.39261481579787       3   24.12956426509440   -4.60509549185705   -0.08323285130813
       3
    0.31982483961254       2    0.71497230348696    4.28490894898846
                                                   -5.74614099742558
    0.39010582297579       2   -0.11730475675424   -0.61441715519200
                                                    0.66470078590372
    0.45399950742600       2    1.74382815737940   -3.09368784936970
                                                    3.60010642358388

Sb GTH-SCAN-q5 GTH-MGGA-q5
    2    3    0    0
    0.58748090917862       1    7.88472863421066
       3
    0.55708801219664       3    1.40361985887009    1.26142553381847   -0.92323343783903
                                                   -3.13012115471081    2.38377841765215
                                                                       -1.89206530257778
    0.61627715469505       2    0.53786682605304    0.30484402081227
                                                   -0.36876453660382
    0.88948600781392       1    0.21248190700415

Sb GTH-SCAN-q15 GTH-MGGA-q15
    2    3   10    0
    0.50694208912309       1    3.19295694773666
       3
    0.47714482679816       3   11.19277889385874   -6.57350351891720    1.50686320097674
                                                   10.70154418520731   -3.89070703474942
                                                                       2.84022924408248
    0.54116416243833       2    4.67305023950303   -2.21706605830719
                                                    2.58642284551406
    0.37995674058556       2   -3.82039603816683   -0.84012853466679
                                                    0.95108475325586

Sb GTH-SCAN-q23 GTH-MGGA-q23
    4    9   10    0
    0.38569906970099       3   24.07363186548225   -4.50741321606030   -0.13925809673660
       3
    0.32448727739274       2    0.65564446407961    4.28491239531648
                                                   -5.81407842611660
    0.38418549211407       2   -0.16271314677985   -0.61441766978141
                                                    0.71759260100701
    0.45048810358383       2    1.76881287028621   -3.09368860661071
                                                    3.57328866064150

Te GTH-SCAN-q6 GTH-MGGA-q6
    2    4    0    0
    0.57308901303139       1    8.66909644349903
       3
    0.57602731224382       3    1.40088810040395    0.97877859789941   -0.48630717624061
                                                   -2.05455378705343    1.25563696624420
                                                                       -0.99657068593813
    0.58676060107676       2    0.75737856440784    0.32398535973148
                                                   -0.39253370314658
    0.81340348247750       1    0.32369785182773

Te GTH-SCAN-q16 GTH-MGGA-q16
    2    4   10    0
    0.50737257758287       1    3.43064321668279
       3
    0.47102762613676       3   11.00239850400785   -6.57351650288477    1.50687153047371
                                                   10.70104108579399   -3.89071036524696
                                                                       2.68138253960677
    0.52214004498292       2    4.57917397958350   -2.21706519673302
                                                    2.59675463023285
    0.38601846646834       2   -3.81661299603147   -0.84012788662090
                                                    0.82063693998772

Te GTH-SCAN-q24 GTH-MGGA-q24
    4   10   10    0
    0.38420217219923       3   23.93440274015951   -4.29896618028090   -0.33284501219742
       3
    0.32260468767433       2    0.74378272453610    4.28491225227734
                                                   -5.88827247424977
    0.34506610193068       2   -0.21352725031533   -0.61441729747200
                                                    0.67193150957864
    0.45587994080667       2    1.76534882125884   -3.09368811508470
                                                    3.67092196454589

I GTH-SCAN-q7 GTH-MGGA-q7
    2    5    0    0
    0.55931087657576       1    8.06991724291766
       3
    0.53355372328389       3    2.30863889139036    1.00391034866979   -0.95915745766393
                                                   -2.85568076251581    2.47652976415959
                                                                       -1.96596238617094
    0.58909595737394       2    0.88481364231319    0.42507050511349
                                                   -0.50531422333979
    0.74145419547753       1    0.46326125506252

I GTH-SCAN-q17 GTH-MGGA-q17
    2    5   10    0
    0.50097051336893       1    4.17730630872087
       3
    0.46561216575108       3   10.91021359706225   -6.57350992894405    1.50686732373398
                                                   10.67538274396123   -3.89071085676998
                                                                       2.59615303819664
    0.49854558125415       2    4.59231945231835   -2.21706420697188
                                                    2.69647677168099
    0.39275378403727       2   -3.61595465468627   -0.84012823942326
                                                    0.57126652069454

I GTH-SCAN-q25 GTH-MGGA-q25
    0.38300485131149       3   23.77802181022469   -4.41219383391337   -0.49342908924745
       3
    0.32299532363495       2    0.95803760336498    4.28491358592674
                                                   -5.99199750978273
    0.32247469022206       2   -0.21449068617284   -0.61441702796485
                                                    0.67309872989120
    0.44794298786458       2    1.77812681226407   -3.09368682497745
                                                    3.71550802142012

Xe GTH-SCAN-q8 GTH-MGGA-q8
    2    6    0    0
    0.55962598379623       1    8.01524939279990
       3
    0.53069668288042       3    2.23357538852482    1.20035745541461   -0.99849926104168
                                                   -3.17369838528102    2.57811005278015
                                                                       -2.04631820378173
    0.58177048822194       2    0.77697550018984    0.59123264486338
                                                   -0.70104212239022
    0.68733401267127       1    0.55979136427035

Xe GTH-SCAN-q18 GTH-MGGA-q18
    2    6   10    0
    0.49837849994175       1    4.79744028268291
       3
    0.45932700705199       3   10.81893252151126   -6.57000010691444    1.50999943759823
                                                   10.58097643297333   -3.88999917656853
                                                                       2.53816150626513
    0.48080444741377       2    4.59270768043859   -2.21999917344444
                                                    2.68074309456554
    0.40767813130125       2   -3.43421200384608   -0.83999990894703
                                                    0.38653698244315

Xe GTH-SCAN-q26 GTH-MGGA-q26
    4   12   10    0
    0.38122920252989       3   23.96037285528958   -4.66892496611959   -0.59302443023379
       3
    0.32966147476835       2    1.05736351160675    4.28491311646869
                                                   -6.23014350891530
    0.31730977779587       2   -0.24956587772338   -0.61441658239237
                                                    0.67281649111062
    0.44578329576555       2    1.78521300742479   -3.09368824900758
                                                    3.72458038912081

Cs GTH-SCAN-q9 GTH-MGGA-q9
    3    6    0    0
    0.54114813289632       2   33.32228784193821   -2.93935974270775
       4
    0.45971480646808       2   -3.30304641109692    2.45565848902078
                                                   -3.17924325254478
    0.36613921584767       2   -5.00484442227433    0.84038758506941
                                                   -1.00647207213919
    0.76942195986505       1    0.20163900420331
    0.59705011802397       1   -1.55038684833509

Ba GTH-SCAN-q10 GTH-MGGA-q10
    4    6    0    0
    0.54093434008228       2   24.46604953299211   -2.41334911720722
       4
    0.48218422525955       2    0.04817289711049    1.16931845658151
                                                   -1.49667851486671
    0.39028509202342       2    0.79664208137821   -1.61683796223315
                                                    1.90775191396287
    0.67232192957479       1    0.39636707231752
    0.30050931248029       1  -19.65383424869350

La GTH-SCAN-q3 GTH-MGGA-q3
 NA

La GTH-SCAN-q11 GTH-MGGA-q11
    4    6    1    0
    0.53550406095126       3   20.71181515363948   -1.70963537668515    0.02045461846923
       4
    0.53507895711012       2   -0.09401431242339    1.07859800240155
                                                   -1.37815779791752
    0.31276411373018       2    0.05325565225955    0.67328779446659
                                                   -0.58091193903481
    0.60938868770102       1    0.34899867966932
    0.30199573310575       1  -18.54954189723861

La GTH-SCAN-q29 GTH-MGGA-q29
 NA


Ce GTH-SCAN-q4 GTH-MGGA-q4
 NA

Ce GTH-SCAN-q12 GTH-MGGA-q12
    4    6    0    2
    0.53179382214295       2   18.79927568339344   -0.89622071758303
       4
    0.51213531206507       2    1.39641907669620    0.63822087272941
                                                   -1.53776422965558
    0.42683037132715       2    0.84700592657664    0.82459567136210
                                                   -1.53352825118109
    0.62318383895792       1    0.16259057979339
    0.30592648056307       1  -17.22992817782713

Ce GTH-SCAN-q30 GTH-MGGA-q30
    6   12   11    1
    0.20006243555054       2  148.00680954904675    4.20897599184275
       4
    0.24121467728955       2    2.22104314880706    4.21352386898698
                                                   -5.36864247402728
    0.17309769133041       3   -4.75423492421649   11.78844186418886    0.01475604979747
                                                  -14.00917507983754   -0.03492393563884
                                                                        0.19425831941089
    0.17185841187904       1  -14.80256492204920
    0.26566159135703       1   -4.76641788667550

Pr GTH-SCAN-q5 GTH-MGGA-q5
 NA

Pr GTH-SCAN-q13 GTH-MGGA-q13
    4    6    0    3
    0.53404087304492       2   18.62963981676527   -0.52805025496507
       4
    0.51131334694123       2    1.01939627007531    0.59345114694350
                                                   -1.68495375885184
    0.47604084967427       2    1.14383132647273    0.81049234421774
                                                   -1.86247654144638
    0.67359533317807       1    0.04594310979564
    0.30256843687899       1  -17.98032195879567

Pr GTH-SCAN-q31 GTH-MGGA-q31
 NA


Nd GTH-SCAN-q6 GTH-MGGA-q6
 NA

Nd GTH-SCAN-q14 GTH-MGGA-q14
    4    6    0    4
    0.52785561722302       2   17.82490203101310   -0.42833591083316
       4
    0.48982375305568       2    1.54630447368192    0.83697451799113
                                                   -2.18482297808330
    0.46783654739446       2    0.75730914387328    0.69854098131033
                                                   -1.65687178390895
    0.33138350970332       1   -0.36786967531786
    0.29600540164739       1  -18.52475636382960

Nd GTH-SCAN-q32 GTH-MGGA-q32
 NA


Pm GTH-SCAN-q7 GTH-MGGA-q7
 NA

Pm GTH-SCAN-q15 GTH-MGGA-q15
    4    6    0    5
    0.52825731095580       2   18.31515391849906   -0.49772612215829
       4
    0.48022552982535       2    1.26642406373714    0.98130095150689
                                                   -2.53868440839232
    0.46979555979403       2    0.16947940583276    0.66106802107181
                                                   -1.56805254680832
    0.47153867551117       1   -0.40643622395681
    0.29293849285474       1  -19.29892726671157

Pm GTH-SCAN-q33 GTH-MGGA-q33
 NA


Sm GTH-SCAN-q8 GTH-MGGA-q8
 NA

Sm GTH-SCAN-q16 GTH-MGGA-q16
    4    6    0    6
    0.52653404731233       2   17.22697279452090   -0.53636266102443
       4
    0.47158177107252       2    1.69525026045789    1.03129352018611
                                                   -2.70170446147346
    0.49187928286087       2   -0.08441109056724    0.46789760202714
                                                   -1.10976530213963
    0.46835894369501       1   -0.42097754260001
    0.28571713027001       1  -19.95901733702188

Sm GTH-SCAN-q34 GTH-MGGA-q34
 NA


Eu GTH-SCAN-q9 GTH-MGGA-q9
 NA

Eu GTH-SCAN-q17 GTH-MGGA-q17
    4    6    0    7
    0.52380602228370       2   17.42827073918176   -0.65476080210116
       4
    0.46095889372605       2    1.75560772227714    1.12914313606839
                                                   -2.95758641127710
    0.45159856947837       2    0.56235623724195    0.90207926261563
                                                   -2.12586809448926
    0.49398181359901       1   -0.38595930191681
    0.27973230839820       1  -20.97466974636183

Eu GTH-SCAN-q35 GTH-MGGA-q35
 NA


Gd GTH-SCAN-q10 GTH-MGGA-q10
 NA

Gd GTH-SCAN-q18 GTH-MGGA-q18
    4    6    0    8
    0.51892463313174       2   17.53229336963887   -0.57380921049336
       4
    0.45724298033056       2    1.51953650619254    1.19135687283072
                                                   -3.13658135462005
    0.45984026317371       2   -0.00700046589166    0.66549137381494
                                                   -1.68072894969996
    0.49283435278044       1   -0.57844906516934
    0.27486905388706       1  -21.95400592521245

Gd GTH-SCAN-q36 GTH-MGGA-q36
 NA


Tb GTH-SCAN-q11 GTH-MGGA-q11
 NA

Tb GTH-SCAN-q19 GTH-MGGA-q19
    4    6    0    9
    0.51109530877887       2   17.63481225439612   -0.76394342074783
       4
    0.44367994484355       2    1.76869406659317    1.32962210326202
                                                   -3.39789504230720
    0.41431467450011       2    0.55528296147188    1.17685556181896
                                                   -2.77678989519581
    0.47684148820630       1   -0.64324557006166
    0.26831481264298       1  -22.90805598530437

Tb GTH-SCAN-q37 GTH-MGGA-q37
 NA


Dy GTH-SCAN-q12 GTH-MGGA-q12
 NA

Dy GTH-SCAN-q20 GTH-MGGA-q20
    4    6    0   10
    0.50891874047108       2   17.01014708874041   -0.93655538949743
       4
    0.43676397228105       2    2.01614331862654    1.37231952353372
                                                   -3.50680437174916
    0.42326178338321       2    0.01598032100300    0.86333541464328
                                                   -2.03997136282862
    0.46888316103345       1   -0.63441734447371
    0.26164642381711       1  -23.92063280195019

Dy GTH-SCAN-q38 GTH-MGGA-q38
 NA


Ho GTH-SCAN-q13 GTH-MGGA-q13
 NA

Ho GTH-SCAN-q21 GTH-MGGA-q21
    4    6    0   11
    0.50704211691889       2   16.80439926060862   -1.15554389226534
       4
    0.42895304359711       2    2.10840634558089    1.42219649058900
                                                   -3.62401445522766
    0.41257444443039       2    0.27386598836175    0.99398822257361
                                                   -2.34986029043455
    0.44675313444086       1   -0.71697632023890
    0.25509395616102       1  -25.19972082575081

Ho GTH-SCAN-q39 GTH-MGGA-q39
 NA


Er GTH-SCAN-q14 GTH-MGGA-q14
 NA

Er GTH-SCAN-q22 GTH-MGGA-q22
    4    6    0   12
    0.50513567058695       2   17.10608398439021   -1.41623628195302
       4
    0.41829535752069       2    2.19972432195135    1.54121841640327
                                                   -3.94653268011839
    0.40861710125044       2    0.03888982954728    0.96870284644503
                                                   -2.29177896186103
    0.42318953589479       1   -0.93218543464011
    0.24927516076059       1  -26.72490034445227

Er GTH-SCAN-q40 GTH-MGGA-q40
 NA


Tm GTH-SCAN-q15 GTH-MGGA-q15
 NA

Tm GTH-SCAN-q23 GTH-MGGA-q23
    4    6    0   13
    0.49262143302017       2   17.61440415573092   -1.54677784370363
       4
    0.41126856714484       2    2.16833652319711    1.59600371394264
                                                   -3.95085782375044
    0.39089715983286       2   -0.09926069791541    0.94100034980205
                                                   -2.22240639479810
    0.38747066522454       1   -1.25080591984375
    0.24250454870665       1  -28.14725399363393

Tm GTH-SCAN-q41 GTH-MGGA-q41
 NA


Yb GTH-SCAN-q16 GTH-MGGA-q16
 NA

Yb GTH-SCAN-q24 GTH-MGGA-q24
    4    6    0   14
    0.50065844629530       2   17.46892840413809   -1.76993521046685
       4
    0.39873654483865       2    2.16770292767464    1.85663866902803
                                                   -4.81230493951187
    0.41348256743556       2   -0.91650603833006    0.69958529820001
                                                   -1.69251658566339
    0.44813839880173       1   -0.90861281344108
    0.23853399631468       1  -30.09989472694540

Yb GTH-SCAN-q42 GTH-MGGA-q42
 NA


Lu GTH-SCAN-q17 GTH-MGGA-q17
 NA

Lu GTH-SCAN-q25 GTH-MGGA-q25
    4    6    1   14
    0.49687414681545       2   17.24263450590224   -1.65419010020638
       4
    0.39162183608720       2    2.24264650637170    2.09462470216703
                                                   -5.41043140246025
    0.39319968260168       2   -0.71122290815083    1.15404013724219
                                                   -2.73100560797165
    0.43517280925574       1   -1.21612200603765
    0.23273095318189       1  -32.02757367004946

Lu GTH-SCAN-q43 GTH-MGGA-q43
 NA

Hf GTH-SCAN-q4 GTH-MGGA-q4
 NA

Hf GTH-SCAN-q12 GTH-MGGA-q12
    4    6    2    0
    0.55679901154300       2   15.47408006679326   -2.54702140771789
       3
    0.29938168486456       3  -10.89972557696474   27.37263997920244  -14.96156566629152
                                                  -59.73248211809249   38.63060265988352
                                                                      -30.82309707685345
    0.35315034515746       2   -9.66309729678273    9.22329658688864
                                                  -10.91635342633276
    0.41623221555856       2   -2.74848621869665    0.48133908147615
                                                   -0.54607086483449

Ta GTH-SCAN-q5 GTH-MGGA-q5
    2    0    3    0
    0.74022997518686       1    3.65755156812711
       3
    0.58309469361432       2    2.03175716755106   -1.17236444292595
                                                    3.07314675954311
    0.78804239569682       2    0.59378731363708   -0.50065450845341
                                                    1.17092938013032
    0.53509474179441       2   -2.20238943060566    0.73493503113050
                                                   -1.67873508875208

Ta GTH-SCAN-q13 GTH-MGGA-q13
    4    6    3    0
    0.55497889746639       2   13.37801929478030   -2.42169039261807
       3
    0.38537262037642       3   -4.44608304563466    4.17648942004319    1.87560512297911
                                                   -2.42243788517990   -4.84279856138194
                                                                       3.84244069315429
    0.35080928722575       2   -7.60729799491038    8.17895448399971
                                                   -9.67515891522088
    0.41856942079848       2   -1.11370292015695   -0.87533142907556
                                                    0.99248834637793

W GTH-SCAN-q6 GTH-MGGA-q6
    2    0    4    0
    0.70582841038911       1   10.68005593853808
       3
    0.45753565793528       2    5.80379140987096   -2.07061802663695
                                                    2.68405187233769
    0.72709201695502       2    1.78878930063745   -2.55402676525686
                                                    3.01762621440497
    0.50164087883188       2  -10.58976663684390    6.44789397250504
                                                   -7.20160544982664

W GTH-SCAN-q14 GTH-MGGA-q14
    4    6    4    0
    0.54454919743470       2   13.41950505265795   -2.36862027570439
       3
    0.38336039617604       3   -4.14237164221241    3.83542854734846    2.23317786051954
                                                   -1.38101174514330   -5.76604827360107
                                                                       4.57661007396684
    0.34626006388794       2   -7.46972578382981    8.11232716386136
                                                   -9.59646494141611
    0.41236265193980       2   -0.95464284783816   -1.06745401648634
                                                    1.21037681320121

Re GTH-SCAN-q7 GTH-MGGA-q7
    2    0    5    0
    0.69057760792644       1    8.20692639150030
       3
    0.50824209297927       2    2.24176561844730   -1.36659456570691
                                                    3.62977620150381
    0.74673362345684       2    0.49748722843166   -0.39095042071372
                                                    0.98643443661940
    0.50087945415533       2   -3.69371693266674    0.83544072940421
                                                   -1.90390786142430

Re GTH-SCAN-q15 GTH-MGGA-q15
    4    6    5    0
    0.53353615897856       2   13.45407369989064   -2.35829599234638
       3
    0.38122940507389       3   -3.70428432021459    3.15477898935998    2.85593315924222
                                                    0.53282723232919   -7.37399484698812
                                                                       5.85121575075904
    0.34517060298444       2   -7.06279216850277    7.56676127466667
                                                   -8.93296176162084
    0.40220538565052       2   -0.90010684262317   -1.14916901761712
                                                    1.30266479606822

Os GTH-SCAN-q8 GTH-MGGA-q8
    2    0    6    0
    0.64148681481173       1   10.67947834075125
       3
    0.52028374484434       2    2.32017574547434   -1.08870740528209
                                                    2.89841003900423
    0.70479356771912       2    0.44618465080409   -0.59559990061977
                                                    1.34719759942689
    0.47461366032689       2   -4.55237344919386    0.72115603650042
                                                   -1.63805972491073

Os GTH-SCAN-q16 GTH-MGGA-q16
    4    6    6    0
    0.52392515598121       2   13.45330633023106   -2.34202190813853
       3
    0.38009733283569       3   -3.26824842264577    2.36003411502993    3.61101681649151
                                                    2.79554553839561   -9.32361915942697
                                                                       7.40034468926884
    0.34378989969654       2   -6.89393191538512    7.52931886529546
                                                   -8.86884233116129
    0.39311928617118       2   -0.94267425553025   -1.08157032382205
                                                    1.22579586656822

Ir GTH-SCAN-q9 GTH-MGGA-q9
    2    0    7    0
    0.64041068586981       1   10.67178383828853
       3
    0.51263543042402       2    2.51747932477872   -1.08870663800793
                                                    2.95354320415143
    0.69109270733595       2    0.46219671454750   -0.55130307748400
                                                    1.31575948520618
    0.46909173685486       2   -4.54620183851977    0.72115637667897
                                                   -1.67540148695866

Ir GTH-SCAN-q17 GTH-MGGA-q17
    4    6    7    0
    0.51325965740565       2   13.38035580475514   -2.41647105060413
       3
    0.37985905975240       3   -2.53425695097328    1.05517540729797    4.67506860970115
                                                    6.23831599842745  -12.07095742921281
                                                                       9.58004259658097
    0.33756234588193       2   -6.51016635227749    7.35318511524433
                                                   -8.67197793887544
    0.37915363659728       2   -0.85598660597592   -1.17534839716837
                                                    1.33083468961731

Pt GTH-SCAN-q10 GTH-MGGA-q10
    1    0    9    0
    0.61691537619870       1   11.11204415346701
       3
    0.54327031343999       2    2.44777242620634   -1.02259784226066
                                                    2.71147380333368
    0.66558297880387       2    0.41145939627285   -0.69557521429949
                                                    1.64772058722063
    0.45036971298498       2   -4.55340099848530    0.92707010661899
                                                   -2.08445816273047

Pt GTH-SCAN-q18 GTH-MGGA-q18
    3    6    9    0
    0.50369374851507       2    8.81185028932735   -0.30251918166958
       3
    0.29210327090874       3   -5.97871808320942   24.21289965999992  -13.78967804212236
                                                  -53.70614143772617   35.60479895361355
                                                                      -28.25714335205932
    0.36685767839479       3   -6.66258895897359    7.17066020916068    0.76690369999558
                                                   -7.20745182660050   -1.81482537999368
                                                                       1.31048529074392
    0.34320902925873       2   -8.58947776953127    9.41012199999454
                                                  -10.68017838627506

Au GTH-SCAN-q11 GTH-MGGA-q11
    1    0   10    0
    0.58869071796025       1   11.73730209000661
       3
    0.53503557083235       2    2.71170826673828   -1.04613409420895
                                                    2.90837665631278
    0.63547631782614       2    0.43408097045237   -0.86957317161422
                                                    2.07632473239417
    0.43680498348431       2   -4.70017425457052    0.72777090118137
                                                   -1.70464419029238

Au GTH-SCAN-q19 GTH-MGGA-q19
    3    6   10    0
    0.48769219491242       2    8.00012639264577    0.39527488908544
       3
    0.28787484489410       3   -6.04321398399328   26.10502376892614  -15.17622051290466
                                                  -58.40432210251190   39.18482985619110
                                                                      -31.08719941661209
    0.36575913812598       3   -5.85903434689022    4.73144490083833    2.92710627135590
                                                   -0.72517774891052   -6.92679630468182
                                                                       4.89973164744140
    0.34835474713762       2   -8.80463206368907    9.49191508268646
                                                  -10.78075281613139

Hg GTH-SCAN-q12 GTH-MGGA-q12
    2    0   10    0
    0.56731404901893       1    8.51097635053330
       3
    0.53318985086523       2    7.46966065831776   -2.96994077314363
                                                    3.85808943133585
    0.63684155971912       2    3.57518417498281   -1.72297117252412
                                                    2.03864946366948
    0.40799533820692       2   -8.61384444063785    5.00756080998050
                                                   -5.67822576862248

Hg GTH-SCAN-q20 GTH-MGGA-q20
    4    6   10    0
    0.49382936915418       2    7.14000787872537    0.45955487703568
       3
    0.29031098035191       3   -5.78961952056910   26.10501825625909  -15.17621364577475
                                                  -58.38986540187874   39.18481671900480
                                                                      -31.25754977043387
    0.36571797087402       3   -5.89430467568131    4.73148318335506    2.92707934980281
                                                   -0.70470526629558   -6.92678065319000
                                                                       4.85689744540969
    0.35433969704776       2   -8.72559651593240    9.49191369982618
                                                  -10.76234521417668

Tl GTH-SCAN-q3 GTH-MGGA-q3
    2    1    0    0
    0.63152427767790       1   -1.28319526319998
       3
    0.75426095900423       3    1.85106410674505    0.11761530046940   -0.19062740454433
                                                   -0.29953656589393    0.49219608463650
                                                                       -0.77288840312871
    0.90281978163949       2    0.73963340907695    0.24793525301169
                                                   -0.57346996429760
    1.06225645174850       1    0.33176940358123

Tl GTH-SCAN-q13 GTH-MGGA-q13
    2    1   10    0
    0.55325008812311       1   12.28190881852818
       3
    0.51374273312382       2    7.22561656421948   -2.86300848107439
                                                    3.72135748660613
    0.57563528795873       2    4.82361522666976   -3.67332297225501
                                                    4.35864954614356
    0.39619484798856       2  -11.04770435198376    6.42159205280044
                                                   -7.28147946015640

Tl GTH-SCAN-q21 GTH-MGGA-q21
    4    7   10    0
    0.48577474664715       2    7.16195935175582    0.46045239517458
       3
    0.28680617296362       3   -5.74923356440729   26.10502944981589  -15.17622248524929
                                                  -58.38202448663104   39.18480947038177
                                                                      -31.30682912627588
    0.36999377852693       3   -5.92654492738632    4.73149465906741    2.92706617638444
                                                   -0.69148060165915   -6.92676920045836
                                                                       4.86973765206206
    0.35116909240335       2   -8.71785708728703    9.49190847858756
                                                  -10.79169298556124

Pb GTH-SCAN-q4 GTH-MGGA-q4
    2    2    0    0
    0.62970436462638       1    0.78032753890672
       3
    0.70088615490685       3    1.98546178459867    0.06388754185254   -0.19665758337124
                                                   -0.17717114528902    0.50776910496294
                                                                       -0.77938357556003
    0.85306861820247       2    0.84169499037606    0.22860125386457
                                                   -0.53267197410140
    0.97208943197069       1    0.45393583641003

Pb GTH-SCAN-q14 GTH-MGGA-q14
    2    2   10    0
    0.53229349882102       1   12.54390274012713
       3
    0.49575263490205       2    8.44870536419466   -3.44005548289140
                                                    4.44558137771294
    0.56847411477508       2    5.01751056279753   -2.89639794602300
                                                    3.41871035677377
    0.40713144505339       2   -6.83977685618024    1.83782664650287
                                                   -2.08418768302402

Pb GTH-SCAN-q22 GTH-MGGA-q22
    4    8   10    0
    0.47772419152531       2    7.17847031512529    0.43721456753758
       3
    0.28504749499117       3   -5.76693586855191   26.10502295182792  -15.17620973158239
                                                  -58.36429558239379   39.18480620668289
                                                                      -31.34568764605958
    0.37068551678997       3   -5.91248522148638    4.73149188860753    2.92706825994288
                                                   -0.70216651438546   -6.92676802566709
                                                                       4.88185617930509
    0.35016313054057       2   -8.71670931826267    9.49191136932848
                                                  -10.78825407237986

Bi GTH-SCAN-q5 GTH-MGGA-q5
    2    3    0    0
    0.61658158148056       1    6.69269829948320
       3
    0.67933897888214       3    1.37752973866769    0.19895478036263   -0.11491931995202
                                                   -0.49284543743024    0.29671926755964
                                                                       -0.46133561444781
    0.80099477375144       2    0.65258496869605    0.17027017977770
                                                   -0.37496256056603
    0.93476794276112       1    0.27351376564006

Bi GTH-SCAN-q15 GTH-MGGA-q15
    2    3   10    0
    0.51046421620475       1   13.35919209053236
       3
    0.48121968749020       2    9.54905305123498   -3.94511374876850
                                                    5.09235749630730
    0.54899204921359       2    5.63666723767337   -3.17713870855936
                                                    3.75765340538138
    0.40024508014750       2   -6.02006883784915    0.92523551832644
                                                   -1.04862552806090

Bi GTH-SCAN-q23 GTH-MGGA-q23
    4    9   10    0
    0.46825351841932       2    7.16605873003218    0.45597207898924
       3
    0.28280713485593       3   -5.76672367537778   26.10501761356083  -15.17620866096991
                                                  -58.39055545037753   39.18480694235685
                                                                      -31.34247753892185
    0.37292763838568       3   -5.89674097890689    4.73149195995497    2.92707002106531
                                                   -0.69614846402099   -6.92677426136704
                                                                       4.87859536098374
    0.35316747458364       2   -8.69889894489767    9.49191211399932
                                                  -10.77882706019789

Po GTH-SCAN-q6 GTH-MGGA-q6
    2    4    0    0
    0.59169940875014       1    8.12418515354568
       3
    0.80444211128777       3    0.32640403260312    0.10539920824264    0.52809490492417
                                                    0.72286308113169   -1.36353392983982
                                                                       1.08199923466171
    0.81539884895088       2    0.13566293889939    0.37530257947171
                                                   -0.44453483368310
    0.88884783465779       1    0.34680926724182

Po GTH-SCAN-q16 GTH-MGGA-q16
    2    4   10    0
    0.49643263804237       3   12.96214898743087    0.32905385927588   -0.09731553214765
       3
    0.47890591841259       2    9.30854311727499   -3.94512029532912
                                                    5.12246039972576
    0.54149806373376       2    5.76019608048410   -3.17707758241093
                                                    3.73500381450121
    0.38432315211426       2   -6.12255815687768    0.92523270804374
                                                   -1.05895315729582

Po GTH-SCAN-q24 GTH-MGGA-q24
    4   10   10    0
    0.45902452193682       2    7.28151583026843    0.30540271741063
       3
    0.28006888773264       3   -5.90864444592785   26.10502268121570  -15.17621000744003
                                                  -58.39222164856734   39.18480660633013
                                                                      -31.36088915599935
    0.35997066687257       3   -5.84239077242030    4.73149002436867    2.92707182792688
                                                   -0.69701754995282   -6.92677369988906
                                                                       4.85417395877781
    0.35395553031436       2   -8.78034895300128    9.49191248344017
                                                  -10.77053266018237

At GTH-SCAN-q7 GTH-MGGA-q7
    2    5    0    0
    0.57899534473983       1   14.19325723523984
       3
    0.67320010369725       3   -0.37881330561290    0.66112687009856    0.27884886478596
                                                   -0.38925586076626   -0.71998608990473
                                                                       0.57140511395210
    0.64869629678852       2    0.24060609164322    0.32622809305145
                                                   -0.39463032697485
    0.85317690402220       1    0.36323594980322

At GTH-SCAN-q17 GTH-MGGA-q17
    2    5   10    0
    0.49715083789927       3   13.04653800010554    0.40054019413768   -0.09944752770213
       3
    0.46524736823186       2    9.28897731103590   -3.94511904185517
                                                    5.11923079890579
    0.52721636708579       2    5.78566940598575   -3.17707664105262
                                                    3.75555864383432
    0.38811403720038       2   -6.16917597337991    0.92523269697729
                                                   -1.05615018626422

At GTH-SCAN-q25 GTH-MGGA-q25
    0.45203352712252       2    7.26997470314906    0.24215553495711
       3
    0.27643867537172       3   -5.87326838435054   26.10502820210140  -15.17621756920536
                                                  -58.39108854365154   39.18481146047162
                                                                      -31.49587478382336
    0.36063913127213       3   -5.88798166402627    4.73149193196076    2.92707126183301
                                                   -0.69886547788470   -6.92677690607329
                                                                       4.80649494690296
    0.35649087203501       2   -8.76010464379653    9.49191220231676
                                                  -10.87689691382422

Rn GTH-SCAN-q8 GTH-MGGA-q8
    2    6    0    0
    0.56959378437815       1   16.17184530198749
       3
    0.63645261445487       3   -0.58161231964873    0.80312913897933    0.29738558656390
                                                   -0.55308541302676   -0.76784728697418
                                                                       0.60945561130858
    0.64840664624881       2    0.11356012260837    0.30517335343542
                                                   -0.36388704361521
    0.80351565159458       1    0.49271853516042

Rn GTH-SCAN-q18 GTH-MGGA-q18
    2    6   10    0
    0.50590801085340       3   13.10902653335032    0.16870573426918   -0.22228164323012
       3
    0.46681949406997       2    9.39793421398754   -3.94511973916101
                                                    5.00275388955510
    0.52858350149197       2    5.75092884860063   -3.17707713762872
                                                    3.69081365043238
    0.39029394806277       2   -6.02735036801469    0.92523289373261
                                                   -1.05674724503670

Rn GTH-SCAN-q26 GTH-MGGA-q26
    4   12   10    0
    0.44161406873640       2    7.24823477367077    0.22724618686088
       3
    0.27194245874441       3   -5.83860866603572   26.10503894936442  -15.17622130434649
                                                  -58.40242101182506   39.18481762138212
                                                                      -31.52343299934067
    0.36637739559301       3   -5.80734453831938    4.73149316988407    2.92707098201645
                                                   -0.71653299983603   -6.92677758778279
                                                                       4.71886789252062
    0.37101461363853       2   -8.78293417577731    9.49191230610775
                                                  -10.93092292075056



################################################################################
#
# GTH Pseudopotentials optimized for PBE0
#
#  &METHOD
#     METHOD_TYPE  KOHN-SHAM
#     RELATIVISTIC DKH(3)
#     &XC
#       &XC_FUNCTIONAL PBE0
#       &END XC_FUNCTIONAL
#     &END XC
#  &END METHOD
#
#  &POTENTIAL
#    CONFINEMENT_TYPE  BARRIER
#    CONFINEMENT 200. 4.0 12.0 
#  &END POTENTIAL
#
#  &POWELL
#      WEIGHT_PSIR0 0.0
#      TARGET_POT_SEMICORE      [eV]      0.003000
#      TARGET_POT_VALENCE       [eV]      0.000300
#      TARGET_POT_VIRTUAL       [eV]      0.003000
#  &END
#
#   Pseudopotential form
#
#     Atom    Zcore   Zval    NC    NPS  NPP  NPD  NPF
#   1  H          0      1     2      0    0    0    0
#   2  He         0      2     2      0    0    0    0
#   3  Li         2      1     2      1    1    0    0
#                 0      3     4      0    0    0    0
#   4  Be         2      2     2      1    1    0    0
#                 0      4     4      0    0    0    0
#   5  B          2      3     2      1    0    0    0
#   6  C          2      4     2      1    0    0    0
#   7  N          2      5     2      1    0    0    0
#   8  O          2      6     2      1    0    0    0
#   9  F          2      7     2      1    0    0    0
#  10  Ne         2      8     3      2    1    0    0
#  11  Na        10      1     1      2    1    0    0
#                 2      9     3      1    1    0    0
#  12  Mg        10      2     1      2    1    0    0
#                 2     10     3      1    1    0    0
#  13  Al        10      3     2      2    1    0    0
#  14  Si        10      4     2      2    1    0    0
#  15  P         10      5     1      2    1    0    0
#  16  S         10      6     1      2    1    0    0
#  17  Cl        10      7     1      2    1    0    0
#  18  Ar        10      8     2      2    1    0    0
#  19  K         18      1     1      3    2    1    0
#                10      9     3      2    2    0    0
#  20  Ca        18      2     1      3    2    1    0
#                10     10     2      2    2    1    0
#  21  Sc        18      3     1      3    2    1    0
#                10     11     2      2    2    1    0
#  22  Ti        18      4     0      3    2    1    0
#                10     12     2      2    2    1    0
#  23  V         18      5     0      3    2    1    0
#                10     13     2      2    2    1    0
#  24  Cr        18      6     0      3    2    1    0
#                10     14     2      2    2    1    0
#  25  Mn        18      7     0      3    2    1    0
#                10     15     2      2    2    1    0
#  26  Fe        18      8     1      3    2    1    0
#                10     16     2      2    2    1    0
#  27  Co        18      9     1      3    2    1    0
#                10     17     2      2    2    1    0
#  28  Ni        18     10     1      3    2    1    0
#                10     18     2      2    2    1    0
#  29  Cu        28      1     1      3    2    1    0
#                18     11     0      3    2    1    0
#                10     19     2      2    2    1    0
#  30  Zn        28      2     1      3    2    1    0
#                18     12     0      3    2    1    0
#                10     20     2      2    2    1    0
#  31  Ga        28      3     0      3    2    1    0
#                18     13     2      3    2    1    0
#                10     21     3      2    2    1    0
#  32  Ge        28      4     0      3    2    1    0
#                18     14     0      3    2    1    0
#                10     22     2      2    2    1    0
#  33  As        28      5     0      3    2    1    0
#                18     15     0      3    2    1    0
#                10     23     2      2    2    1    0
#  34  Se        28      6     2      3    2    1    0
#                18     16     0      3    2    1    0
#                10     24     2      2    2    1    0
#  35  Br        28      7     1      3    2    1    0
#                18     17     0      3    2    1    0
#                10     25     2      2    2    1    0
#  36  Kr        28      8     0      3    2    1    0
#                18     18     1      3    2    1    0
#                10     26     2      2    2    1    0
#  37  Rb        36      1     2      3    2    1    0
#                28      9     2      2    2    1    0
#  38  Sr        36      2     2      3    2    1    0
#                28     10     2      2    2    1    0
#  39  Y         36      3     2      3    2    2    0
#                28     11     3      2    2    2    0
#  40  Zr        36      4     2      3    2    2    0
#                28     12     3      2    2    2    0
#  41  Nb        36      5     2      2    2    2    0
#                28     13     2      2    2    2    0
#  42  Mo        36      6     2      2    2    2    0
#                28     14     2      2    2    2    0
#  43  Tc        36      7     2      2    2    2    0
#                28     15     2      2    2    2    0
#  44  Ru        36      8     1      2    2    2    0
#                28     16     2      2    2    2    0
#  45  Rh        36      9     1      2    2    2    0
#                28     17     2      2    2    2    0
#  46  Pd        36     10     1      2    2    2    0
#                28     18     2      2    2    2    0
#  47  Ag        46      1     1      3    2    1    0
#                36     11     1      3    2    2    0
#                28     19     3      2    2    2    0
#  48  Cd        46      2     1      3    2    1    0
#                36     12     1      3    2    2    0
#                28     20     3      2    2    2    0
#  49  In        46      3     1      3    2    1    0
#                36     13     1      3    2    2    0
#                28     21     3      2    2    2    0
#  50  Sn        46      4     1      3    2    1    0
#                36     14     1      3    2    2    0
#                28     22     3      2    2    2    0
#  51  Sb        46      5     2      3    2    1    0
#                36     15     1      3    2    2    0
#                28     23     3      2    2    2    0
#  52  Te        46      6     2      3    2    1    0
#                36     16     1      3    2    2    0
#                28     24     3      2    2    2    0
#  53  I         46      7     1      3    2    1    0
#                36     17     1      3    2    2    0
#                28     25     3      2    2    2    0
#  54  Xe        46      8     1      3    2    1    0
#                36     18     1      3    2    2    0
#                28     26     3      2    2    2    0
#  55  Cs        54      1     0      3    2    1    0
#                46      9     2      2    2    1    1
#  56  Ba        54      2     1      3    2    1    0
#                46     10     3      2    2    1    1
#  57  La        54      3
#                46     11     3      2    2    1    1
#                28     29
#  58  Ce        54      4
#                46     12     2      2    2    1    1
#                28     30     2      2    3    1    1
#  59  Pr        54      5
#                46     13     2      2    2    1    1
#                28     31
#  60  Nd        54      6
#                46     14     2      2    2    1    1
#                28     32
#  61  Pm        54      7
#                46     15     2      2    2    1    1
#                28     33
#  62  Sm        54      8
#                46     16     2      2    2    1    1
#                28     34
#  63  Eu        54      9
#                46     17     2      2    2    1    1
#                28     35
#  64  Gd        54     10
#                46     18     2      2    2    1    1
#                28     36
#  65  Tb        54     11
#                46     19     2      2    2    1    1
#                28     37
#  66  Dy        54     12
#                46     20     2      2    2    1    1
#                28     38
#  67  Ho        54     13
#                46     21     2      2    2    1    1
#                28     39
#  68  Er        54     14
#                46     22     2      2    2    1    1
#                28     40
#  69  Tm        54     15
#                46     23     2      2    2    1    1
#                28     41
#  70  Yb        54     16
#                46     24     2      2    2    1    1
#                28     42
#  71  Lu        54     17
#                46     25     2      2    2    1    1
#                28     43
#  72  Hf        68      4
#                60     12     2      3    2    2    0
#  73  Ta        68      5     1      2    2    2    0
#                60     13     2      3    2    2    0
#  74  W         68      6     1      2    2    2    0
#                60     14     2      3    2    2    0
#  75  Re        68      7     1      2    2    2    0
#                60     15     2      3    2    2    0
#  76  Os        68      8     1      2    2    2    0
#                60     16     2      3    2    2    0
#  77  Ir        68      9     1      2    2    2    0
#                60     17     2      3    2    2    0
#  78  Pt        68     10     1      2    2    2    0
#                60     18     2      3    2    2    0
#  79  Au        78      1     2      3    3    0    0
#                68     11     1      2    2    2    0
#                60     19     2      3    3    2    0
#  80  Hg        78      2     1      3    2    1    0
#                68     12     1      2    2    2    0
#                60     20     2      3    3    2    0
#  81  Tl        78      3     1      3    2    1    0
#                68     13     1      2    2    2    0
#                60     21     2      3    3    2    0
#  82  Pb        78      4     1      3    2    1    0
#                68     14     2      2    2    2    0
#                60     22     2      3    3    2    0
#  83  Bi        78      5     1      3    2    1    0
#                68     15     3      2    2    2    0
#                60     23     2      3    3    2    0
#  84  Po        78      6     2      3    2    1    0
#                68     16     3      2    2    2    0
#                60     24     2      3    3    2    0
#  85  At        78      7     1      3    2    1    0
#                68     17     3      2    2    2    0
#                60     25     2      3    3    2    0
#  86  Rn        78      8     1      3    2    1    0
#                68     18     3      2    2    2    0
#                60     26     2      3    3    2    0
#
#
#  Current maximal deviations [eV]
#
#    Atom  Q          SC              VA              U1
#   1  H   1        ==         -0.000079        0.000074 *****
#                                               0.000182
#   2  He  2        ==         -0.000267        0.000094 *****
#                                               0.000274
#   3  Li  1        ==          0.000300       -0.003000 *****
#                                              -0.002617
#                                               0.002054
#   3  Li  3    0.002271       -0.000165       -0.000394 *****
#                                               0.000285
#                                               0.000247
#   4  Be  2        ==          0.000300       -0.003269 *****
#                                               0.001647
#                                               0.000989
#   4  Be  4   -0.001114       -0.000190        0.000051 *****
#                                               0.002368
#                                               0.000077
#   5  B   3        ==          0.000070       -0.000797 *****
#                               0.000269        0.000496
#                                              -0.000082
#   6  C   4        ==          0.000095       -0.000939 *****
#                               0.000096       -0.000058
#                                               0.000435
#   7  N   5        ==          0.000227       -0.000477 *****
#                               0.000099        0.000156
#                                              -0.000104
#   8  O   6        ==          0.000245       -0.000306 *****
#                               0.000280        0.000098
#                                               0.000137
#   9  F   7        ==         -0.000024        0.000581 *****
#                               0.000086        0.000629
#                                              -0.001079
#  10  Ne  8        ==          0.000084        0.000518 *****
#                               0.000297        0.000113
#                                               0.000360

#  11  Na  1        ==         -0.000385        0.026817  ****
#                                              -0.002998
#                                              -0.013650
#  11  Na  9   -0.002999        0.000299        0.000449  ****
#               0.002877                       -0.003013
#                                              -0.000005
#  12  Mg  2        ==          0.000340       -0.016184  ****
#                                               0.003003
#                                               0.012770
#  12  Mg 10   -0.003006        0.000281        0.000078  ****
#               0.003007                       -0.003304
#                                               0.000095
#  13  Al  3        ==          0.000383       -0.0-7049    **
#                               0.000406       -0.011027
#                                               0.005102
#  14  Si  4        ==          0.000315       -0.006977    **
#                               0.000328       -0.004060
#                                               0.003694
#  15  P   5        ==          0.000306       -0.006590    **
#                               0.000296       -0.004247
#                                               0.003638
#  16  S   6        ==          0.000274       -0.006104  ****
#                               0.000110       -0.001877
#                                              -0.000095
#  17  Cl  7        ==          0.000278       -0.005328  ****
#                               0.000317       -0.001324
#                                              -0.001693
#  18  Ar  8        ==          0.000308       -0.005344  ****
#                              -0.000276       -0.001450
#                                              -0.001307
#  19  K   1        ==          0.000330        0.066885  ****
#                                              -0.022629
#                                               0.253242 
#  19  K   9    0.000291        0.000300       -0.004291  ****
#               0.001706                        0.001177
#                                               0.000577 
#  20  Ca  2        ==         -0.000413        0.044289     *
#                                              -0.002814
#                                              -0.002994
#  20  Ca 10   -0.003452        0.000339        0.004415     *
#               0.003185                       -0.010806
#  21  Sc  3        ==         -0.000483        0.028771     *
#                              -0.000342       -0.002994
#                                               0.006830
#  21  Sc 11   -0.008451        0.000961       -0.006655     *
#               0.005026        0.000425        0.004022
#                                               0.004074
#  22  Ti  4        ==         -0.000358        0.019412     *
#                              -0.000332       -0.003387
#                                               0.001839
#  22  Ti 12   -0.009953        0.001332       -0.001430     *
#               0.005250        0.000534        0.066246
#                                               0.004397
#  23  V   5        ==         -0.000325        0.005730     *
#                              -0.000308       -0.004028
#                                               0.002874
#  23  V  13   -0.009869        0.001372       -0.001399     *
#               0.006187        0.000574        0.054127
#                                               0.003164
#  24  Cr  6        ==         -0.000338       -0.001578     *
#                              -0.000304        0.003373
#                                               0.007050
#  24  Cr 14   -0.011607        0.001674       -0.002016     *
#               0.007330        0.000600        0.071367
#                                               0.003597
#  25  Mn  7        ==         -0.000354        0.009827     *
#                              -0.000312       -0.002934
#                                              -0.000303
#  25  Mn 15   -0.009553        0.001536       -0.000551     *
#               0.005229        0.000616        0.055041
#                                               0.001822
#  26  Fe  8        ==         -0.000504        0.004996     *
#                              -0.000352       -0.005435
#                                               0.000417
#  26  Fe 16   -0.004833        0.000613        0.000613     *
#               0.003595        0.000368        0.015586
#                                               0.001281
#  27  Co  9        ==         -0.000319        0.008725     *
#                              -0.000307       -0.002813
#                                               0.001687
#  27  Co 17   -0.004721        0.000665        0.000286     *
#               0.003728        0.000392        0.021624
#                                               0.001000
#  28  Ni 10        ==         -0.000309        0.005117     *
#                              -0.000301       -0.002992
#                                               0.000441
#  28  Ni 18   -0.005513        0.000784       -0.000854     *
#               0.003521        0.000388        0.017120
#                                               0.001358
#  29  Cu  1        ==         -0.000354       -0.001128     *
#                                              -0.883919
#                                               0.007753
#  29  Cu 11        ==         -0.000356       -0.003956     *
#                              -0.000309        0.002971
#                                               0.005224
#  29  Cu 19   -0.003977        0.000417       -0.001045     *
#               0.003529        0.000319        0.000617
#                                               0.001789
#  30  Zn  2        ==         -0.000057        0.010936     *
#                                               0.002906
#                                               0.002412
#  30  Zn 12        ==         -0.000390       -0.003410     *
#                              -0.000318        0.001956
#                                               0.003703
#  30  Zn 20   -0.003838        0.000478       -0.000168     *
#               0.003301        0.000342        0.007996
#                                               0.000907
#  31  Ga  3        ==         -0.000247       -0.005862     *
#                              -0.000312       -0.002462
#                                               0.000215
#  31  Ga 13    0.002940        0.000310       -0.003193     *
#                               0.000325        0.000958
#                                               0.003267
#  31  Ga 21   -0.004021        0.000802       -0.000150     *
#              -0.004016        0.001502        0.003913
#                                               0.002552
#  32  Ge  4        ==          0.000314       -0.004315     *
#                               0.000326       -0.006411
#                                               0.002586
#  32  Ge 14    0.007277        0.000532       -0.006949     *
#                               0.001151       -0.013744
#                                               0.027354
#  32  Ge 22   -0.006528        0.000802       -0.005377     *
#              -0.005008        0.002313        0.001290
#                                               0.008922
#  33  As  5        ==          0.000304       -0.009529     *
#                               0.000311       -0.007238
#                                               0.002508
#  33  As 15    0.003837        0.000435       -0.003100     *
#                               0.000793       -0.019526
#                                               0.056403
#  33  As 23   -0.003822        0.000451       -0.015342     *
#              -0.003836        0.001062       -0.001265
#                                               0.021080
#  34  Se  6        ==          0.000306       -0.009876     *
#                               0.000310       -0.004722
#                                               0.001943
#  34  Se 16    0.003381        0.000348       -0.013598     *
#                               0.000625       -0.030949
#                                               0.113458
#  34  Se 24   -0.002595        0.000519       -0.025412     *
#              -0.006557        0.002001       -0.001372
#                                               0.036767
#  35  Br  7        ==          0.000298       -0.016801     *
#                               0.000306       -0.002946
#                                               0.002023
#  35  Br 17    0.003263        0.000349       -0.018077     *
#                               0.000668       -0.033373
#                                               0.156224
#  35  Br 25   -0.004470        0.000514       -0.057728     *
#              -0.006189        0.001909       -0.001686
#                                               0.046502
#  36  Kr  8        ==          0.000277       -0.017155     *
#                               0.000233       -0.002558
#                                               0.002486
#  36  Kr 18    0.003998        0.000413       -0.053304     *
#                               0.001263       -0.024153
#                                               0.137859
#  36  Kr 26    0.007411       -0.000284       -0.021501     *
#               0.002027       -0.000864       -0.010729
#                                               0.084699
#  37  Rb  1        ==          0.000323       -0.002641
#                                              -0.002840
#                                              -0.001891
#  37  Rb  9   -0.008388        0.000790        0.000066
#               0.007246                        0.001147
#                                               0.001123
#  38  Sr  2        ==         -0.000342        0.017220
#                                              -0.002851
#                                              -0.001431
#  38  Sr 10   -0.003640        0.000360       -0.001810
#               0.003292                        0.000325
#                                               0.002453
#  39  Y   3        ==         -0.000628       -0.052196
#                              -0.000494       -0.005344
#                                               0.036977
#  39  Y  11   -0.008187        0.001007       -0.000805
#               0.006409        0.000460       -0.002724
#                                               0.010329
#  40  Zr  4        ==         -0.000396       -0.023480
#                              -0.000349       -0.004677
#                                               0.007556
#  40  Zr 12   -0.010097        0.001150        0.001133
#               0.009010        0.000608        0.004501
#                                               0.007922
#  41  Nb  5        ==         -0.000335        0.013270
#                              -0.000319        0.035550
#                                               0.001383
#  41  Nb 13   -0.003937        0.000453       -0.003478
#               0.002743        0.000371        0.025310
#                                               0.004523
#  42  Mo  6        ==         -0.000343        0.024989
#                              -0.000329       -0.003388
#                                               0.004907
#  42  Mo 14   -0.003391        0.000421       -0.003222
#              -0.003054        0.000357        0.019470
#                                               0.003454
#  43  Tc  7        ==         -0.000398        0.000920
#                              -0.000322        0.012189
#                                               0.015108
#  43  Tc 15   -0.003454        0.000391       -0.002617
#               0.002985        0.000332        0.015366
#                                               0.003975
#  44  Ru  8        ==          0.000303       -0.012859
#                              -0.000116       -0.003339
#                                               0.006780
#  44  Ru 16   -0.001902        0.000050        0.000293
#               0.002809       -0.000213       -0.001927
#                                               0.001119
#  45  Rh  9        ==         -0.000410       -0.006436
#                              -0.000354       -0.008511
#                                               0.006509
#  45  Rh 17   -0.004118        0.000567       -0.000665
#               0.003436        0.000406        0.038080
#                                               0.005043
#  46  Pd 10        ==          0.000311       -0.003759
#                               0.000308        0.002989
#                                               0.005239
#  46  Pd 18   -0.004742        0.000518       -0.001972
#               0.003415        0.000344        0.006412
#                                               0.004708
#  47  Ag  1        ==          0.000257       -0.089911
#                                              -0.003703
#                                              -0.003586
#  47  Ag 11        ==          0.000330       -0.009561
#                               0.000312        0.013253
#                                               0.004943
#  47  Ag 19   -0.004515        0.000479       -0.004348
#               0.003424        0.000345       -0.003683
#                                               0.006126
#  48  Cd  2        ==          0.000306        0.009731
#                                              -0.002861
#                                              -0.001094
#  48  Cd 12        ==          0.000454       -0.007570
#                               0.000339        0.002515
#                                               0.005710
#  48  Cd 20    0.005413       -0.000525        0.000556
#              -0.003429       -0.000348       -0.016180
#                                               0.006812
#  49  In  3        ==          0.000329       -0.007988
#                               0.000346       -0.004400
#                                               0.003955
#  49  In 13   -0.004205       -0.000332       -0.003767
#                              -0.000373        0.001880
#                                               0.002171
#  49  In 21    0.004427       -0.000724       -0.002230
#               0.004860       -0.001516       -0.001662
#              -0.018189                        0.018587
#  50  Sn  4        ==          0.000307       -0.006284
#                               0.000319       -0.008182
#                                               0.001209
#  50  Sn 14    0.004486        0.000369       -0.015239
#                               0.000584       -0.018430
#                                               0.041183
#  50  Sn 22    0.004225       -0.000385       -0.005843
#               0.003234       -0.000478       -0.003678
#              -0.004945                        0.036772
#  51  Sb  5        ==          0.000310       -0.008320
#                               0.000319       -0.007916
#                                               0.002857
#  51  Sb 15    0.006427        0.000484       -0.027728
#                               0.001114       -0.038882
#                                               0.114973
#  51  Sb 23    0.003902       -0.000333       -0.011652
#               0.002911       -0.000445       -0.004907
#              -0.004520                        0.062598
#  52  Te  6        ==          0.000318       -0.011898
#                               0.000264       -0.006165
#                                               0.001576
#  52  Te 16    0.005580        0.000440       -0.040527
#                               0.001093       -0.052836
#                                               0.208857
#  52  Te 24    0.007634       -0.000485       -0.016484
#               0.007835       -0.001027       -0.007216
#              -0.004902                        0.098846
#  53  I   7        ==          0.000303       -0.013421
#                               0.000222       -0.005808
#                                               0.001086
#  53  I  17    0.007768        0.000614       -0.064791
#                               0.001725       -0.055220
#                                               0.285211
#  53  I  25    0.003705        0.000354       -0.022487
#              -0.005417        0.001023       -0.008522
#               0.004072                        0.133061
#  54  Xe  8        ==          0.000253       -0.018048
#                               0.000255       -0.005025
#                                              -0.002591
#  54  Xe 18    0.006737        0.000595       -0.093164
#                               0.001719       -0.053708
#                                               0.349362
#  54  Xe 26    0.004818       -0.000373       -0.034120
#               0.007575       -0.001120       -0.007739
#              -0.004866                        0.165298
#  55  Cs  1        ==         -0.000336        0.001179
#                                               0.316939
#                                              -0.002995
#  55  Cs  9    0.006924       -0.000661       -0.002915
#               0.000116                       -0.000641
#                                               0.000153
#  56  Ba  2        ==          0.000394       -0.050285
#                                               0.003053
#                                               0.003111
#  56  Ba 10    0.002251       -0.000235       -0.003967
#              -0.001342                        0.011415
#                                               0.001386
#  57  La  3    NA
#  57  La 11    0.003458       -0.000400       -0.007017
#              -0.002976       -0.000345        0.031042
#                                               0.001122
#                                               0.002372
#  57  La 29    NA
#  58  Ce  4    NA
#  58  Ce 12   -0.002690        0.000477       -0.002189
#               0.004359        0.000389        0.012204
#                                               0.001795
#                                               0.006407
#  58  Ce 30   -0.004002       -0.003255       -0.001825
#               0.036343       -0.000590       -0.000617
#               0.004502       -0.000466        0.003275
#              -0.068549                        0.015337
#              -0.011050
#  59  Pr  5    NA
#  59  Pr 13   -0.003761        0.000764       -0.001509
#               0.012790        0.000374        0.021743
#                                               0.002910
#                                               0.002363
#  59  Pr 31    NA
#  60  Nd  6    NA
#  60  Nd 14   -0.003263       -0.000390       -0.001408
#              -0.006619       -0.000336        0.042030
#                                              -0.074899
#                                               0.002410
#  60  Nd 32    NA
#  61  Pm  7    NA
#  61  Pm 15   -0.003318        0.000821       -0.000861
#               0.009231        0.000370       -0.009325
#                                               0.021655
#                                               0.002156
#  61  Pm 33    NA
#  62  Sm  8    NA
#  62  Sm 16    0.003410       -0.000536       -0.001441
#              -0.005200       -0.000334       -0.012178
#                                              -0.006782
#                                               0.002746
#  62  Sm 34    NA
#  63  Eu  9    NA
#  63  Eu 17    0.003034       -0.000054        0.000534
#              -0.003589       -0.000017        0.031078
#                                               0.001254
#                                               0.001521
#  63  Eu 35    NA
#  64  Gd 10    NA
#  64  Gd 18   -0.004086        0.001171       -0.000935
#               0.013461        0.000317       -0.036808
#                                              -0.002166
#                                               0.003244
#  64  Gd 36    NA
#  65  Tb 11    NA
#  65  Tb 19   -0.003192        0.000437        0.000518
#               0.005314        0.000318       -0.014629
#                                              -0.000230
#                                               0.001236
#  65  Tb 37    NA
#  66  Dy 12    NA
#  66  Dy 20   -0.001015       -0.000157        0.000103
#              -0.003112       -0.000108        0.014060
#                                              -0.002233
#                                               0.001359
#  66  Dy 38    NA
#  67  Ho 13    NA
#  67  Ho 21    0.003899       -0.000570       -0.000686
#              -0.004860       -0.000312        0.009384
#                                              -0.002971
#                                               0.001653
#  67  Ho 39    NA
#  68  Er 14    NA
#  68  Er 22   -0.003352        0.000453       -0.000107
#               0.004667        0.000314        0.000832
#                                               0.002987
#                                               0.001020
#  68  Er 40    NA
#  69  Tm 15    NA
#  69  Tm 23   -0.003122        0.000632        0.000286
#               0.005862        0.000323        0.016656
#                                               0.002589
#                                               0.000603
#  69  Tm 41    NA
#  70  Yb 16    NA
#  70  Yb 24   -0.004869        0.000760       -0.000250
#               0.005830        0.000315       -0.002985
#                                               0.002528
#                                               0.000615
#  70  Yb 42    NA
#  71  Lu 17    NA
#  71  Lu 25    0.003468       -0.000591        0.000637
#              -0.005637       -0.000309       -0.012011
#                                               0.001502
#                                               0.000163
#  71  Lu 43    NA
#  72  Hf  4    NA
#  72  Hf 12    0.002292       -0.000551        0.002912
#              -0.003826       -0.000502       -0.020036
#                                              -0.000748
#                                              -0.004834
#  73  Ta  5        ==         -0.000568        0.017279
#                              -0.000495       -0.126394
#                                               0.004250
#                                              -0.008757
#  73  Ta 13    0.003224       -0.000382       -0.000582
#              -0.003190       -0.000371       -0.000647
#                                              -0.000949
#                                              -0.001766
#  74  W   6        ==          0.000390       -0.008386
#                               0.000369        0.002294
#                                               0.010021
#                                              -0.015045
#  74  W  14    0.000921        0.000331       -0.000731
#              -0.002422        0.000360        0.005678
#                                              -0.001128
#                                              -0.001107
#  75  Re  7        ==         -0.000386        0.012280
#                              -0.000367       -0.063110
#                                               0.004324
#                                               0.000479
#  75  Re 15    0.003164       -0.000315       -0.001053
#              -0.003231       -0.000309        0.010886
#                                              -0.000960
#                                              -0.000266
#  76  Os  8        ==         -0.000533        0.007402
#                              -0.000438       -0.128236
#                                               0.002108
#                                               0.006937
#  76  Os 16    0.003138       -0.000355       -0.000735
#              -0.003453       -0.000355        0.015212
#                                              -0.000866
#                                              -0.000495
#  77  Ir  9        ==         -0.000310        0.006879
#                              -0.000305       -0.002918
#                                               0.004563
#                                               0.002507
#  77  Ir 17    0.002792       -0.000324       -0.000654
#              -0.002980       -0.000297        0.011254
#                                              -0.001034
#                                              -0.000648
#  78  Pt 10        ==         -0.000429        0.006154
#                              -0.000399       -0.095263
#                                               0.003805
#                                               0.001061
#  78  Pt 18   -0.002852        0.000307       -0.002012
#               0.002298        0.000053       -0.004733
#                                               0.001205
#                                               0.002188
#  79  Au  1        ==         -0.000284        0.135521
#                                              -0.002772
#                                              -0.091627
#                                               0.079648
#  79  Au 11        ==         -0.000321        0.004928
#                              -0.000313        0.001274
#                                               0.003532
#                                               0.002561
#  79  Au 19    0.004930       -0.000593        0.001786
#              -0.002543       -0.000480       -0.115231
#                                               0.001259
#                                              -0.002290
#  80  Hg  2        ==         -0.000320        0.047410
#                                              -0.002629
#                                              -0.004988
#                                               0.038852
#  80  Hg 12        ==          0.000326       -0.006633
#                               0.000323        0.002313
#                                               0.005522
#                                               0.006409
#  80  Hg 20    0.009148       -0.000847        0.004555
#              -0.004557       -0.000671       -0.080206
#                                               0.000578
#                                              -0.005663
#  81  Tl  3        ==         -0.000391        0.004054
#                              -0.000517        0.026884
#                                              -0.027701
#                                               0.006012
#  81  Tl 13   -0.004189       -0.000317       -0.001289
#                              -0.000346        0.005044
#                                               0.003524
#                                               0.001247
#  81  Tl 21    0.003078       -0.000333       -0.000222
#              -0.001793       -0.000376       -0.000949
#              -0.004820                        0.008576
#                                              -0.000016
#  82  Pb  4        ==         -0.000356       -0.008267
#                              -0.000654        0.015572
#                                              -0.018625
#                                              -0.000639
#  82  Pb 14   -0.003290       -0.000306       -0.006330
#                              -0.000329        0.001793
#                                               0.002032
#                                               0.003479
#  82  Pb 22    0.004895       -0.000418       -0.002846
#              -0.003544       -0.000647       -0.011376
#              -0.009230                        0.026538
#                                               0.007384
#  83  Bi  5        ==         -0.000332       -0.002826
#                              -0.000491        0.004425
#                                              -0.036344
#                                               0.007958
#  83  Bi 15   -0.002650       -0.000299       -0.008582
#                              -0.000305       -0.001257
#                                               0.002197
#                                               0.006405
#  83  Bi 23    0.003720       -0.000299       -0.003819
#               0.002225       -0.000281       -0.022883
#              -0.003193                        0.061347
#                                               0.023712
#  84  Po  6        ==          0.000312        0.015026
#                               0.000334       -0.016249
#                                               0.001975
#                                               0.024784
#  84  Po 16    0.005237        0.000355       -0.003085
#                               0.000713       -0.011897
#                                               0.036537
#                                               0.017263
#  84  Po 24    0.004375       -0.000343       -0.004521
#               0.003530        0.000004       -0.038334
#              -0.003815                        0.118788
#                                               0.047465
#  85  At  7        ==          0.000305        0.009696
#                               0.000334       -0.008502
#                                               0.003003
#                                               0.030169
#  85  At 17    0.006833        0.000480       -0.045814
#                               0.000940       -0.014857
#                                               0.072774
#                                               0.026120
#  85  At 25    0.004837       -0.000219       -0.010083
#              -0.003345        0.000558       -0.043980
#              -0.001644                        0.179119
#                                               0.067330
#  86  Rn  8        ==          0.000298        0.000954
#                               0.000325       -0.007530
#                                               0.002662
#                                               0.030107
#  86  Rn 18    0.004387        0.000347        0.009540
#                               0.000713       -0.028561
#                                               0.150900
#                                               0.044301
#  86  Rn 26    0.005782       -0.000184       -0.017040
#               0.007044        0.000006       -0.053189
#              -0.006072                        0.250592
#                                               0.085544
#
########################################################################################
H GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.20049539759096       2   -4.17780338804233    0.72403926676805
       0

He GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    0.20017329365474       2   -9.12067000075613    1.70208358301703
       0

Li GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.75964758929012       2   -1.83262116138068    0.29335392083572
       2
    0.66664011365615       1    1.82533389506510
    1.13193056174044       1   -0.00537714127161

Li GTH-PBE0-q3 GTH-HYB-q3
    3    0    0    0
    0.39993081344993       4  -14.08530415833642    9.62537018875649   -1.78457296864557    0.08549008664035
       0

Be GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    0.73771831383601       2   -2.57865188827570    0.35848616355850
       2
    0.52867288859104       1    3.05853373603160
    0.65400238666770       1    0.10892671053926

Be GTH-PBE0-q4 GTH-HYB-q4
    4    0    0    0
    0.32509505636383       4  -24.07395187582817   17.27753557339761   -3.33813395270615    0.16589950724713
       0

B  GTH-PBE0-q3 GTH-HYB-q3
    2    1    0    0
    0.40108414578245       2   -6.06189350240471    0.90629333835975
       1
    0.37004886566811       1    6.32612112711081

C  GTH-PBE0-q4 GTH-HYB-q4
    2    2    0    0
    0.34015230644208       2   -8.75626046428525    1.33212403341974
       1
    0.30255799930084       1    9.58980355283555

N  GTH-PBE0-q5 GTH-HYB-q5
    2    3    0    0
    0.28405138134082       2  -12.39652421586226    1.86372383417056
       1
    0.25538070446385       1   13.63073438324169

O  GTH-PBE0-q6 GTH-HYB-q6
    2    4    0    0
    0.24671011902360       2  -16.65533253748591    2.50854752353111
       1
    0.22100154713718       1   18.34370453997725

F  GTH-PBE0-q7 GTH-HYB-q7
    2    5    0    0
    0.21072776514618       2  -21.77668029827303    3.19000454427853
       1
    0.19487484011912       1   23.73376374985284

Ne GTH-PBE0-q8 GTH-HYB-q8
    2    6    0    0
    0.19050423878827       3  -27.40404160755363    4.42644219542327    0.00312528175949
       2
    0.17609378094694       2   28.18364816845336    0.83365182689679
                                                   -1.06378213860369
    0.19427680906964       1   -0.23683812086750

Na GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.87736669677033       1   -0.98569036864499
       2
    0.66272068894006       2    1.81380799231144   -0.22540897415512
                                                    0.63994894826586
    0.87400143311308       1    0.51469967863718

Na GTH-PBE0-q9 GTH-HYB-q9
    3    6    0    0
    0.21845674097331       3   -0.11598011360544   -0.58386001845049    0.11900246932074
       2
    0.13956354907332       1   34.80407754306934
    0.13189580696310       1  -13.99739306305770

Mg GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    0.60332009138925       1   -2.44906947061548
       2
    0.59517958498187       2    3.46488312730597   -0.80186162213433
                                                    1.01297769092649
    0.71029346701117       1    0.80865189753326

Mg GTH-PBE0-q10 GTH-HYB-q10
    4    6    0    0
    0.19151880340941       3  -20.58996450243945    3.05422653377244    0.01037248076816
       2
    0.14118088879317       1   41.04649235094767
    0.10344445822122       1  -10.14994233229308

Al GTH-PBE0-q3 GTH-HYB-q3
    2    1    0    0
    0.46149659717697       2   -7.88593692867357    0.11601617417707
       2
    0.48058130639558       2    6.92871268745064   -1.88887779604562
                                                    2.61071103776251
    0.56517211690902       1    1.84134137234458

Si GTH-PBE0-q4 GTH-HYB-q4
    2    2    0    0
    0.44599315201567       2   -6.14101713869032    0.02439420457294
       2
    0.43467857695389       2    8.97165588072498   -2.70628597544888
                                                    3.49478022897694
    0.49725736249965       1    2.43351141897676

P  GTH-PBE0-q5 GTH-HYB-q5
    2    3    0    0
    0.41170687355432       1   -6.03343938526436
       2
    0.39272476636547       2   11.00874377313139   -3.47037164146558
                                                    4.50948080572593
    0.44422480967104       1    3.06454983136247

S  GTH-PBE0-q6 GTH-HYB-q6
    2    4    0    0
    0.42421877384392       1   -5.91750834249737
       2
    0.36493252078434       2   13.02519943725386   -4.24183913368506
                                                    5.47952676938831
    0.40952136486559       1    3.69910260371268

Cl GTH-PBE0-q7 GTH-HYB-q7
    2    5    0    0
    0.41298804960897       1   -6.32361951726800
       2
    0.33965515685850       2   15.10766696389460   -4.93452480262469
                                                    6.37082920202595
    0.37842841568248       1    4.34030252417204

Ar GTH-PBE0-q8 GTH-HYB-q8
    2    6    0    0
    0.39979462541098       2   -7.23417721420866    0.00616780402846
       2
    0.31880599007091       2   17.21513221796928   -5.58548607072547
                                                    7.21072495408957
    0.35343634803616       1    4.97384170460103

K GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.88870849709891       1    0.17025640574919
       3
    0.94959262133767       3    0.98879101143343   -0.13629831935583   -0.08734568912575
                                                    0.37775793602338    0.16924319999350
                                                                       -0.24335941724591
    1.06825965702449       2    0.59083342260554    0.00492345489177
                                                    0.03136724403036
    0.62316894876728       1   -1.51745860794396

K GTH-PBE0-q9 GTH-HYB-q9
    3    6    0    0
    0.39246904926945       3   -3.51664553001400   -1.01475672298062   -0.00096233046289
       2
    0.30542547052360       2   16.62001129407343   -5.62265121443331
                                                    7.56113874803983
    0.31636659516605       2    7.30863801325808   -2.46094673778849
                                                    2.91266499109653

Ca GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    0.71191768519081       1    0.22372678021701
       3
    0.64568999379107       3    1.13238255305546   -0.49006434333906   -0.11604969394273
                                                    2.26340812892159   -0.05607112085979
                                                                        0.33108584486152
    0.95854066109518       2    0.70995783137630   -0.12780548550840
                                                    0.21993991870275
    0.52561708549688       1   -2.92597505747739

Ca GTH-PBE0-q10 GTH-HYB-q10
    4    6    0    0
    0.37175661812378       2   -4.98130693989215   -1.45568254386533
       3
    0.28967510971394       2   20.42911028907305   -7.12978450365126
                                                    9.20655562151994
    0.32764812097716       2    5.79230576821080   -0.42875557755192
                                                    0.49052102658077
    0.79109627104486       1    0.05752085539933

Sc GTH-PBE0-q3 GTH-HYB-q3
    2    0    1    0
    0.77161390652862       1    0.00262196170253
       3
    0.60512441395414       3    2.17567031580649   -0.72072688844753    0.31890319090925
                                                    1.95016312455064   -0.88611079913844
                                                                        1.42189455087162
    0.87410415293982       2    0.91734193624835   -0.11843614089716
                                                    0.23646435430480
    0.45268827836537       1   -3.87273341711008

Sc GTH-PBE0-q11 GTH-HYB-q11
    4    6    1    0
    0.39019163741463       2    6.46718851127304   -0.26825755772399
       3
    0.35577640110232       2    2.55708484925265    3.02109189630111
                                                   -3.68446017463486
    0.24976938335933       2   -2.81069183854029    7.99213829060397
                                                   -9.44429519575413
    0.25341707365887       1   -8.11761353814423

Ti GTH-PBE0-q4 GTH-HYB-q4
    2    0    2    0
    0.72506956972831       0
       3
    0.53567797987102       3    1.81242936996018   -0.58036487657610    0.86213842824936
                                                    1.61902699399022   -2.31297963481463
                                                                        3.69735978959751
    0.78065492333367       2    0.99657143874200   -0.04374853059236
                                                    0.30142908572085
    0.40960963186541       1   -4.75525876184223

Ti GTH-PBE0-q12 GTH-HYB-q12
    4    6    2    0
    0.38066841603530       2    8.81981799484719   -0.40314716119960
       3
    0.32774389067410       2    2.55946187215343    3.69297570370904
                                                   -4.59405520890242
    0.27798274820173       2   -4.57330725114992    8.87087405614556
                                                  -10.48612993346001
    0.24414930976587       1   -9.40665135384814

V GTH-PBE0-q5 GTH-HYB-q5
    2    0    3    0
    0.69004203223021       0
       3
    0.52229952675198       3    2.20045619098916   -0.73573996040410    0.73159114059352
                                                    1.89013345221953   -1.93302354758687
                                                                        3.07347198250362
    0.75703432607056       2    1.10483896762379   -0.12972854788742
                                                    0.31283477804799
    0.37446348356079       1   -5.84156237509072

V GTH-PBE0-q13 GTH-HYB-q13
    4    6    3    0
    0.37654843942161       2    7.69706422603190   -0.20413123769688
       3
    0.31381819266115       2    2.12238278078776    4.72569376144849
                                                   -5.89237227291825
    0.26979521724513       2   -5.98601296103625    9.35863710836418
                                                  -11.03729953209880
    0.24280945431209       1   -9.50340669597146

Cr GTH-PBE0-q6 GTH-HYB-q6
    2    0    4    0
    0.64003490294792       0
       3
    0.50222320198458       3    2.12622242546059   -0.87519359990297    0.72676552413343
                                                    2.09545571896348   -1.85217026449683
                                                                        3.05020894799090
    0.72619298414758       2    1.15068537954645   -0.10287834199061
                                                    0.29086497011357
    0.35060762222713       1   -6.61682555202434

Cr GTH-PBE0-q14 GTH-HYB-q14
    3    6    5    0
    0.37333380522879       2    5.74258654129945   -0.53236838162872
       3
    0.30601469063643       2    2.60406722319621    4.97446659251299
                                                   -6.02136433743308
    0.27443681740467       2   -4.44509594966912    7.33141204157421
                                                   -8.70494861523006
    0.22055442638533       1  -11.17013576984644

Mn GTH-PBE0-q7 GTH-HYB-q7
    2    0    5    0
    0.62841709800704       0
       3
    0.48121824878217       3    2.92544464359182   -0.94567322030337    0.61777279234185
                                                    2.55405292537770   -1.61347461517976
                                                                        2.66332796634774
    0.66859904590774       2    1.35310103257184   -0.11002894330952
                                                    0.38368700416796
    0.32896137280570       1   -7.80658411593522

Mn GTH-PBE0-q15 GTH-HYB-q15
    4    6    5    0
    0.36704771984661       2    6.54518875189567   -0.36403420626684
       3
    0.28613270390108       2    1.90190192338757    6.35683263226049
                                                   -7.93910753776722
    0.26852401661593       2   -6.46789375156486    7.98335955801653
                                                   -9.42847563468881
    0.22356641927227       1  -11.60216233984040

Fe GTH-PBE0-q8 GTH-HYB-q8
    2    0    6    0
    0.59643214352785       1    0.15401254306717
       3
    0.45548535550028       3    3.29410897327614   -1.01066271186989    0.78740672922700
                                                    2.65703143307858   -2.03777690007272
                                                                        3.25596489239940
    0.63915590327622       2    1.54383059203715   -0.09991204259109
                                                    0.32819716535310
    0.30868532691352       1   -9.15006987647320

Fe GTH-PBE0-q16 GTH-HYB-q16
    4    6    6    0
    0.36018485831039       2    7.10575842176742   -0.22221986794736
       3
    0.27013287026989       2    0.91898768472442    7.91313430168567
                                                  -10.12318779089620
    0.25817783919480       2   -7.92312150470070    7.69707972705100
                                                   -9.09670590106664
    0.22356847501342       1  -12.40272526401394

Co GTH-PBE0-q9 GTH-HYB-q9
    2    0    7    0
    0.56762332770245       1    0.01268113610674
       3
    0.44121469018973       3    4.52315373829791   -1.11917322994378    0.75295122456183
                                                    2.95981928194049   -1.94675615579348
                                                                        3.10444310842214
    0.60397197926369       2    1.86580044752399   -0.05537934124950
                                                    0.31337606270212
    0.29221917554843       1  -10.16476446336840

Co GTH-PBE0-q17 GTH-HYB-q17
    4    6    7    0
    0.35531889346196       2    5.67030439947574    0.35510858377843
       3
    0.26487959223719       2   -0.07270963392636    9.28628396280128
                                                  -11.86935503706242
    0.27727198248955       2   -6.85319985624555    5.68013442983014
                                                   -6.72314454990498
    0.22411024965623       1  -12.32626228366823

Ni GTH-PBE0-q10 GTH-HYB-q10
    2    0    8    0
    0.55284034646162       1    0.06252303461738
       3
    0.42636366285537       3    4.14172186253395   -1.19903862250787    0.73987724724672
                                                    3.11553105940329   -1.90684155980809
                                                                        3.06478195736529
    0.58369231837423       2    1.84083923830123   -0.12132070562484
                                                    0.38972752683057
    0.27997569437154       1  -11.39387357866845

Ni GTH-PBE0-q18 GTH-HYB-q18
    4    6    8    0
    0.35029407036406       2    2.49420028745125    0.64191878004337
       3
    0.25411447558195       2    0.85882405878196    9.97022207153317
                                                  -12.70095357774082
    0.23341815167862       2  -11.21679177691917   12.42956643418536
                                                  -14.69109829437721
    0.21624183096484       1  -12.62001412549900

Cu GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.23562805380134       1    0.01411533199543
       3
    0.63933826281208       3    2.28109786350318    0.07481197197778   -0.22860996935436
                                                   -0.22306726151697    0.62560670179491
                                                                       -1.10912294919862
    0.95362193548173       2   -0.03340354394082    0.11167633824370
                                                   -0.32379218167106
    1.31639478733305       1   -0.02633666685310

Cu GTH-PBE0-q11 GTH-HYB-q11
    2    0    9    0
    0.52394528496515       0
       3
    0.43101435132144       3    9.70093059049232   -6.47017957082070    1.93596794056221
                                                   11.48385068339052   -4.99861962750030
                                                                        3.99152699012015
    0.56434024143565       2    2.54379849090433   -0.78458205656439
                                                    0.92852986039545
    0.26464518455638       1  -12.84030884962711

Cu GTH-PBE0-q19 GTH-HYB-q19
    3    6   10    0
    0.34513918857211       2    0.15057756009598    1.24915049448070
       3
    0.24963312244692       2    0.78208793414651   10.73581892215014
                                                  -13.85712544246001
    0.22193023127306       2  -13.04056419719053   14.74763796106762
                                                  -17.44840131440254
    0.21574833704129       1  -12.45996834610160

Zn GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    0.17011465674756       1    0.00778136225503
       3
    0.63415642820163       3    2.04370760245653    0.07481379690255   -0.22861161393826
                                                   -0.16704173028049    0.62560787207947
                                                                       -0.90953158853418
    0.98794988984387       2   -0.07246669022903    0.27369419961571
                                                   -0.32321552964793
    1.32590616610546       1    0.02565426925383

Zn GTH-PBE0-q12 GTH-HYB-q12
    2    0   10    0
    0.50716160353522       0
       3
    0.40019421162464       3   11.47847069985560   -8.79189113915431    3.14508153595280
                                                   16.43993162715941   -8.12057588285455
                                                                        6.44484900849672
    0.54527712114061       2    2.59745775510352   -0.59446747084678
                                                    0.70366114506810
    0.25225257649220       1  -14.48427919444548

Zn GTH-PBE0-q20 GTH-HYB-q20
    4    6   10    0
    0.33993116879023       2    1.03042391731715    1.23342716415877
       3
    0.23758692497948       2   -0.96048723138205   12.79312906645248
                                                  -16.41229427827166
    0.24739228163397       2   -9.72683717064977    8.07114334659687
                                                   -9.55891135943018
    0.20935446215823       1  -14.20436303230955

Ga GTH-PBE0-q3 GTH-HYB-q3
    2    1    0    0
    0.57257741917819       0
       3
    0.56587130206218       3    2.25327152611408    1.03244703568014   -0.76062864563948
                                                   -2.57005556186570    1.96393648509171
                                                                       -1.55871006489740
    0.64911044628614       2    0.31183500736136    0.61341513212690
                                                   -0.72528848574594
    0.99143178879163       1    0.09370979261392

Ga GTH-PBE0-q13 GTH-HYB-q13
    2    1   10    0
    0.48861911861492       2    0.00530821427842   -0.01615186733693
       3
    0.41704680657906       3   10.47115155744443   -4.92196820829668    0.87083689410732
                                                    7.77138644956225   -2.24822102758413
                                                                        1.78438551351240
    0.56968481016088       2    1.82696988841512    0.19586573670164
                                                   -0.22851878063478
    0.23827303837184       1  -16.44971281745893

Ga GTH-PBE0-q21 GTH-HYB-q21
    4    7   10    0
    0.34004803709061       3    0.72660429823387    1.24713308342873   -0.01979726657790
       3
    0.23621094844840       2   -1.06554432833834   12.79313627781174
                                                  -16.86842247946792
    0.24245665910532       2  -10.23323736885881    8.07114425263605
                                                   -9.58491371129222
    0.20939413843570       1  -14.18610447794156

Ge GTH-PBE0-q4 GTH-HYB-q4
    2    2    0    0
    0.53268501589023       0
       3
    0.42215521271613       3    7.52682048746396   -0.58816248026003   -1.44792999872809
                                                   -1.59045820558045    3.73862539747846
                                                                       -2.96689732142390
    0.56737500444390       2    0.91249612371735    0.54688440887642
                                                   -0.64758922840810
    0.82131594439665       1    0.17616425223153

Ge GTH-PBE0-q14 GTH-HYB-q14
    2    2   10    0
    0.48391659460775       0
       3
    0.40786177917452       3   10.44137238989198   -4.92176160501950    0.87071929497810
                                                    7.71622723905267   -2.24818553870374
                                                                        1.75188405205050
    0.56614420819796       2    1.68253859655416    0.19583691902626
                                                   -0.26672032954910
    0.23818736597100       1  -16.48591639180131

Ge GTH-PBE0-q22 GTH-HYB-q22
    4    8   10    0
    0.32424035981616       2    0.44423454695777    1.40343383455824
       3
    0.23590322299004       2   -0.91813576533395   12.79313737956533
                                                  -16.89643904211508
    0.23298271359061       2  -10.03065369443258    8.07114489235833
                                                   -9.68942210852111
    0.20706047571388       1  -13.90256725401165

As GTH-PBE0-q5 GTH-HYB-q5
    2    3    0    0
    0.51089886248717       0
       3
    0.45555116118502       3    5.52578109463137    0.03513040050903   -1.06108142436795
                                                   -1.77505334300608    2.73971001809248
                                                                       -2.17414658218052
    0.55378018132375       2    1.01431734761982    0.62921194767122
                                                   -0.74563909163249
    0.70368739296563       1    0.27778844048752

As GTH-PBE0-q15 GTH-HYB-q15
    2    3   10    0
    0.48195410808223       0
       3
    0.39642280106614       3   10.92031056918739   -4.92176232635881    0.87069994907759
                                                    7.96246760882582   -2.24814261617459
                                                                        1.54417883669351
    0.54849502104996       2    1.74655801947136    0.19585961073428
                                                   -0.31256627840646
    0.23886658682441       1  -16.61957560110424

As GTH-PBE0-q23 GTH-HYB-q23
    4    9   10    0
    0.31141100947512       2    0.62818998142966    1.17623723668904
       3
    0.23785046922355       2   -0.98362300621765   12.79313521183484
                                                  -16.93360809338727
    0.22145243675435       2  -10.24950549983076    8.07114345379798
                                                   -9.57461234454545
    0.20199775426671       1  -14.15271317046950

Se GTH-PBE0-q6 GTH-HYB-q6
    2    4    0    0
    0.50369908060168       2   -0.11852125337063   -0.00166851077916
       3
    0.43262099367725       3    6.53133017741270   -0.22263081920107   -1.19620680674915
                                                   -1.65689335576222    3.08844703144742
                                                                       -2.44972999855243
    0.47031718873620       2    2.27132731254917    0.36533912972425
                                                   -0.43388652486505
    0.63224388327115       1    0.37508086480377

Se GTH-PBE0-q16 GTH-HYB-q16
    2    4   10    0
    0.46918796318139       0
       3
    0.37614833752267       3   10.53177317434128   -4.92178521550614    0.87071760380817
                                                    7.65905498140255   -2.24815102650768
                                                                        1.84546007701097
    0.53336958180370       2    1.70140107731178    0.19585930561414
                                                   -0.34715157967071
    0.23909246185825       1  -16.67226270715384

Se GTH-PBE0-q24 GTH-HYB-q24
    4   10   10    0
    0.30622427136551       2    0.84199210196919    1.08122379169444
       3
    0.23766950006601       2   -0.59527749575292   12.79313385670688
                                                  -17.42443565270197
    0.21220585254482       2  -10.54782653630713    8.07114462401598
                                                   -9.68545002555032
    0.20928096372854       1  -12.77042232753810

Br GTH-PBE0-q7 GTH-HYB-q7
    2    5    0    0
    0.48906471528720       1    0.06691582252564
       3
    0.43801076353654       3    5.96669580124580    0.33050805276591   -1.23839374566567
                                                   -2.41541365748599    3.19750145584358
                                                                       -2.53741621314084
    0.45383504911383       2    2.46041497011847    0.52275466687656
                                                   -0.63955637567408
    0.56430020681229       1    0.52065304811384

Br GTH-PBE0-q17 GTH-HYB-q17
    2    5   10    0
    0.45361266000416       0
       3
    0.38817140256180       3   10.38962800011726   -4.92176807471034    0.87070528224295
                                                    7.67804609098424   -2.24814622092765
                                                                        1.33425994719930
    0.51695142124950       2    1.60538375203343    0.19586033997182
                                                   -0.35403185090577
    0.24143090266630       1  -16.43982817881897

Br GTH-PBE0-q25 GTH-HYB-q25
    4   11   10    0
    0.29956432842194       2    0.61161137107510    1.08545674582042
       3
    0.24472066707273       2   -0.55995027081429   12.79313770047781
                                                  -18.26883284889186
    0.19775866989670       2  -11.38174722087491    8.07114365074034
                                                   -9.91822645488052
    0.20674613552381       1  -13.40641282012143

Kr GTH-PBE0-q8 GTH-HYB-q8
    2    6    0    0
    0.49207499621908       0
       3
    0.42158267225871       3    6.46203761319923    0.53867049835932   -1.50261033899614
                                                   -3.12725722549881    3.87969127624885
                                                                       -3.07976456329515
    0.43320668432237       2    2.60570404204370    0.70511124160240
                                                   -0.83450810122593
    0.52675324563904       1    0.59111992286918

Kr GTH-PBE0-q18 GTH-HYB-q18
    2    6   10    0
    0.44647303239745       1    0.10450805837808
       3
    0.37705926671602       3   10.28034835758854   -4.92178305127735    0.87071775862096
                                                    7.68688947263552   -2.24815443393574
                                                                        1.39855533116365
    0.46276624620966       2    1.94938038390511    0.19585950337805
                                                   -0.27610912808848
    0.24142190358765       1  -16.79702726864556

Kr GTH-PBE0-q26 GTH-HYB-q26
    4   12   10    0
    0.30254895880292       2    0.78594062385422    0.63291936979152
       3
    0.22172169948943       2   -0.54104190982998   12.79312860159898
                                                  -18.05932726263472
    0.33018259395679       2  -10.12536332280928    8.07114353676053
                                                   -9.46236326371621
    0.20330624504801       1  -14.20853188969970

Rb GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.64054664723027       2    3.24550731790346   -0.67740507685491
       3
    0.88827317312919       3    0.91536866844909   -0.34895010569221    0.03118328896468
                                                    0.85989145033366   -0.06145790804539
                                                                        0.01648385496752
    1.06995988884577       2    0.50721098219450    0.27503239733472
                                                    0.08738771460920
    0.73484019891894       1   -1.37965063663937

Rb GTH-PBE0-q9 GTH-HYB-q9
    3    6    0    0
    0.49020995383656       2    5.68472744098417   -0.79829976926794
       3
    0.28171182272021       2   21.42083463518541   -8.07865904594065
                                                   10.43436356170721
    0.28557754115498       2   12.25606940979870  -12.19854534790923
                                                   14.43206317356751
    0.54303064377701       1    0.35407820168666

Sr GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    1.01026589276720       2    0.73834054962489    0.03023841471254
       3
    0.82537251049919       3    1.38357755576404   -0.37365921230608   -0.07744454036910
                                                    0.92068144611453    0.20317113916920
                                                                       -0.27892928917322
    1.14926831348523       2    0.43291148378076   -0.02306798908252
                                                    0.07729374076152
    0.74552155197249       1   -1.42061346797509

Sr GTH-PBE0-q10 GTH-HYB-q10
    4    6    0    0
    0.47940184537061       2    6.67537903325681   -1.07344184859743
       3
    0.27559797482712       2   20.53632524546009   -7.89902529376733
                                                   10.13829072840852
    0.28053151750451       2   11.52498454378120  -10.96577130884974
                                                   12.96359143258531
    0.51419880659796       1    0.35219120883649

Y GTH-PBE0-q3 GTH-HYB-q3
    2    0    1    0
    0.60110812287184       2   -1.12347676724438    0.15714162630451
       3
    0.79604274887682       3    1.53116454808531   -0.58196313328346   -0.06608941947206
                                                    1.33346147866056    0.15854705655603
                                                                       -0.11433875393559
    0.92368863704011       2    0.86806615170380   -0.13324577058565
                                                    0.48972828148211
    0.66916634381045       2   -1.03745423181798    0.08363311996072
                                                   -0.10526871897701

Y GTH-PBE0-q11 GTH-HYB-q11
    4    6    1    0
    0.47521434531583       3   12.16526171299877   -2.10072251631538    0.00088137912569
       3
    0.24381920635707       2   23.00674637728340   -8.32539308005295
                                                   10.41652729506664
    0.29006805856142       2    5.87600299296574   -5.85235206242686
                                                    6.80617118437000
    0.41271285489855       2    1.17831916260959   -1.31883779604540
                                                    1.48215544152220

Zr GTH-PBE0-q4 GTH-HYB-q4
    2    0    2    0
    0.68194290011807       2   -0.66456338898013    0.01919612306243
       3
    0.66276095356950       3    1.47807978610190   -0.94499547856720    0.29585736732004
                                                    2.39622612099554   -0.76600554551614
                                                                        1.21652918092347
    0.87771708539158       2    1.06396939778652   -0.15074603610682
                                                    0.49547974464370
    0.62851657424949       2   -1.17267282939924   -0.08924522515542
                                                    0.21194502613856

Zr GTH-PBE0-q12 GTH-HYB-q12
    4    6    2    0
    0.47155178197500       3    8.72873189269867   -1.86293818621929    0.00038619038732
       3
    0.25892350121621       2   21.14809099294707   -8.57194370027828
                                                   10.95603589008257
    0.28600012300470       2    8.29770446627234   -5.37735902163169
                                                    6.33138518416542
    0.57561945195104       2    0.02448120183291    0.27683485231177
                                                   -0.32156841227051

Nb GTH-PBE0-q5 GTH-HYB-q5
    1    0    4    0
    0.72094402967803       2    4.13604189329538    0.00018104895147
       3
    0.69793143501720       2    1.74532304530171   -0.55865050870694
                                                    1.54056783610200
    0.88636932470292       2    0.38132262890461   -0.24865547654018
                                                    0.63012756130045
    0.51037707455183       2   -2.93042133571754    0.75587098627714
                                                   -1.66728489397371

Nb GTH-PBE0-q13 GTH-HYB-q13
    3    6    4    0
    0.45980846813949       2   26.99467877628663   -4.62625480351576
       3
    0.32710749295591       2   -1.18581709237904    3.27791182555256
                                                   -4.30953365851709
    0.40386049488084       2   -0.70059682431254   -0.90782657217924
                                                    1.08137478433683
    0.42226717369791       2    1.49548239538462   -3.43005846323100
                                                    3.88776308037275

Mo GTH-PBE0-q6 GTH-HYB-q6
    1    0    5    0
    0.69924765956906       2    8.28975700772989    0.02451580185778
       3
    0.68394456576575       2    1.84963988711039   -0.38826864407705
                                                    1.03498625056516
    0.81788756256954       2    0.57178403276070   -0.49117538184499
                                                    0.89553905618668
    0.45671141941509       2   -2.76646456673513    3.00196546466908
                                                   -6.84595507429151

Mo GTH-PBE0-q14 GTH-HYB-q14
    3    6    5    0
    0.43064119171061       2   29.32102650670259   -4.80483287524899
       3
    0.31965033633187       2    0.12150210630104    2.76200116087461
                                                   -3.55902387888448
    0.42319493350798       2   -0.18480919295122   -0.72874244626632
                                                    0.86334927633525
    0.42087608961763       2    1.21667267254061   -2.68646756239123
                                                    3.04396694191666

Tc GTH-PBE0-q7 GTH-HYB-q7
    1    0    6    0
    0.67754700419494       2   13.40029528920624    0.00053298981652
       3
    0.70793026052058       2    0.64394052629195   -0.16897059017612
                                                    0.36100356188127
    0.76967894480353       2    0.14750502796165   -0.24570904265524
                                                    0.67485366611329
    0.52027086986784       2   -6.10410158481007   -0.32714060905811
                                                    0.74315406731166

Tc GTH-PBE0-q15 GTH-HYB-q15
    3    6    6    0
    0.43429870375563       2   26.90904595619060   -4.62901623570097
       3
    0.32446604024342       2   -0.18250860456390    3.34056928880140
                                                   -4.31045696352169
    0.42718875269414       2   -0.24066312514254   -0.82214759705681
                                                    0.97475760863501
    0.43260231382053       2    1.21825011783871   -2.67400690674055
                                                    3.03133605326424

Ru GTH-PBE0-q8 GTH-HYB-q8
    1    0    7    0
    0.59704362243901       1    5.04862208794706
       3
    0.64239515525341       2    4.58653568612835   -1.80336636907556
                                                    2.32894087185322
    0.67937842038663       2    3.27634517667268   -2.42128069169986
                                                    2.86454601339023
    0.38068638481325       2  -15.45205920507663   13.58045059737690
                                                  -15.39883605661412

Ru GTH-PBE0-q16 GTH-HYB-q16
    3    6    7    0
    0.43111975150987       2   27.74049843506821   -5.13680913545838
       3
    0.31655486030481       2   -0.31601472196459    3.71549052064524
                                                   -4.79521326371757
    0.43971986580461       2    0.11104391798670   -1.27757283948438
                                                    1.51366897848494
    0.43811081622225       2    1.50925783692669   -2.94305569014188
                                                    3.33463687935592

Rh GTH-PBE0-q9 GTH-HYB-q9
    1    0    8    0
    0.60446456149035       1    4.74070968386003
       3
    0.61418620946200       2    4.99600624057874   -1.92979892429782
                                                    2.51267523996024
    0.69476015697385       2    2.58401313185074   -1.27989019628063
                                                    1.51578092132523
    0.37008023175397       2  -16.80285975383213   14.71821722213055
                                                  -16.68896482000961

Rh GTH-PBE0-q17 GTH-HYB-q17
    3    6    8    0
    0.42842520612271       2   25.87806515172469   -4.90641817872346
       3
    0.32516394030041       2   -0.66156553200977    3.89281360402188
                                                   -4.81434594353470
    0.38422556846447       2   -0.91568830604797   -0.00570178622687
                                                    0.00745730942545
    0.43434573095321       2    1.57178448619001   -3.01217249019836
                                                    3.41297694865990

Pd GTH-PBE0-q10 GTH-HYB-q10
    1    0    9    0
    0.59843131025832       1    5.31408631044058
       3
    0.59146868883493       2    5.34938647456911   -2.06239016000362
                                                    2.63823231924931
    0.66166253831106       2    2.74032398497128   -1.51135287578910
                                                    1.84775415507685
    0.43848411593728       2   -3.72231270061125   -0.80738893218945
                                                    0.81573866804340

Pd GTH-PBE0-q18 GTH-HYB-q18
    2    6   10    0
    0.41483156974856       2   26.07643102665077   -4.80812209721901
       3
    0.31392211658741       2   -0.16108893753446    4.38486574241950
                                                   -5.58314492872822
    0.42106112738585       2   -0.04114491061354   -1.07795080817847
                                                    1.26632830770458
    0.44079443289907       2    1.63035583943482   -3.09368865287303
                                                    3.50157737105594
Ag GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.50802017492994       1   -0.54292369761194
       3
    0.83778955636234       3    0.74784882815703    0.12557960606063   -0.06394621957591
                                                   -0.43210006841902    0.24639363868995
                                                                       -0.34950226348935
    0.93514361522882       2    0.51355576014448    0.01596438446320
                                                   -0.33896581664808
    1.16633048198313       1   -0.04574040230135

Ag GTH-PBE0-q11 GTH-HYB-q11
    1    0   10    0
    0.57051548685445       1   -0.09902041556941
       3
    0.52696424250079       3    9.45096565585420   -5.27424466978921    0.99705036044107
                                                    8.39492070978198   -2.57436727566402
                                                                        2.02769676760576
    0.62485067151069       2    3.90678516394953   -1.68580269309395
                                                    2.06121242861523
    0.40569649945359       2   -2.72572978591473   -0.43354824809407
                                                    0.39152630825362

Ag GTH-PBE0-q19 GTH-HYB-q19
    3    6   10    0
    0.40000873023846       3   24.28020988542866   -4.18714345301920   -0.00012896937783
       3
    0.31596649183087       2    0.70897609627265    4.28491077644685
                                                   -5.51903766578476
    0.41688667190825       2   -0.18671725447569   -0.61441770950584
                                                    0.72558436210258
    0.45659304612948       2    1.75105130854762   -3.09368842961664
                                                    3.50740256195776

Cd GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    0.64702646287163       1   -0.28576183462600
       3
    0.82877275215157       3    1.25718580721299    0.12565622458502   -0.06401265144966
                                                   -0.42193423065672    0.24644084656639
                                                                       -0.34822146680512
    0.95659389564854       2    0.47729642788666    0.22068696817046
                                                   -0.46016018814145
    1.16632636822175       1    0.12850582127214

Cd GTH-PBE0-q12 GTH-HYB-q12
    2    0   10    0
    0.54990983933345       1    3.58284869671568
       3
    0.49133627560534       3    9.57505460111268   -6.50696162723984    1.80458394707335
                                                   11.30557492900403   -4.65940547711078
                                                                        3.69700311456961
    0.59804546504344       2    4.16280784131309   -1.88408384341597
                                                    2.21196419144355
    0.37829982926779       2   -6.33694767121711    1.53571054931180
                                                   -1.74136700614272

Cd GTH-PBE0-q20 GTH-HYB-q20
    4    6   10    0
    0.40073336113741       3   24.08083672353305   -4.25130903445247    0.00062344240435
       3
    0.32248958376740       2    0.72227593633257    4.28491142766645
                                                   -5.77037920170868
    0.40849985116683       2   -0.19402634177792   -0.61441719569097
                                                    0.65278493918447
    0.45560775891414       2    1.75127456054315   -3.09368824980752
                                                    3.50822199349643

In GTH-PBE0-q3 GTH-HYB-q3
    2    1    0    0
    0.60940999992060       1    5.18474278126971
       3
    0.68892013083685       3    0.56231356598265    0.99900260326698   -0.48094091802369
                                                   -2.07195570900944    1.24178220601691
                                                   -0.98562869814734
    0.76410169218900       2    0.10595430883221    0.42328454766605
                                                   -0.50088031012584
    1.15517970754923       1    0.11599921537823

In GTH-PBE0-q13 GTH-HYB-q13
    2    1   10    0
    0.53199624504295       1    2.75583080671391
       3
    0.47969206411172       3   11.28770235017640   -6.57349292624193    1.50685079113497
                                                   10.95152074746693   -3.89069091579510
                                                                        3.09094935931690
    0.57138592827629       2    4.80323118904018   -2.21705571168694
                                                    2.63722279943672
    0.37704169412738       2   -4.00786962487250   -0.84012922781875
                                                    0.95152969036625

In GTH-PBE0-q21 GTH-HYB-q21
    4    7   10    0
    0.39615940566393       3   24.12735014043723   -4.32241279127189   -0.06849040765218
       3
    0.31965221942948       2    0.69299589660078    4.28491149498402
                                                   -5.73722533457192
    0.39605863141660       2   -0.16630393881574   -0.61441767361260
                                                    0.66114191841216
    0.45465668843642       2    1.75101522323812   -3.09368835064100
                                                    3.55958781983036

Sn GTH-PBE0-q4 GTH-HYB-q4
    2    2    0    0
    0.60250465201545       1    6.21263833738331
       3
    0.56874605826694       3    1.56461730431162    1.46995739917850   -1.17853010300458
                                                   -3.81408699034861    3.04308068471527
                                                                       -2.41482930801345
    0.63873813118572       2    0.52285149352146    0.40321234391824
                                                   -0.47776446525932
    0.98021827275691       1    0.19637716765051

Sn GTH-PBE0-q14 GTH-HYB-q14
    2    2   10    0
    0.52075828252225       1    3.15029412306444
       3
    0.47833781411648       3   11.03238361922107   -6.57351240599243    1.50686634807257
                                                   10.70484675624732   -3.89070744657734
                                                                        3.04272888301357
    0.56318223175774       2    4.65491519558324   -2.21706753747295
                                                    2.58773418043698
    0.37810562957362       2   -3.95714736864954   -0.84012824117957
                                                    0.95280903011065

Sn GTH-PBE0-q22 GTH-HYB-q22
    4    8   10    0
    0.39146716405196       3   24.16868463241103   -4.62168571063043   -0.08865980747581
       3
    0.31973634999738       2    0.73072838533822    4.28490847123317
                                                   -5.74621939277471
    0.38471215420847       2   -0.12301176044749   -0.61441783168889
                                                    0.66314595541886
    0.45368377182797       2    1.75140685311970   -3.09368813607650
                                                    3.59498667559601

Sb GTH-PBE0-q5 GTH-HYB-q5
    2    3    0    0
    0.58737300085018       2    7.78618875887735   -0.01031229687603
       3
    0.55823161780698       3    1.44936917852759    1.26138137514526   -0.92320643728395
                                                   -3.12764073254119    2.38377489526980
                                                                       -1.89001253480294
    0.62138187461410       2    0.55814792582786    0.30486534327961
                                                   -0.36313529580355
    0.88235919001753       1    0.25986482729674

Sb GTH-PBE0-q15 GTH-HYB-q15
    2    3   10    0
    0.50487390609761       1    3.30758051797580
       3
    0.47751052482469       3   11.17249402813559   -6.57350903210994    1.50686497092028
                                                   10.70566034061798   -3.89070734339947
                                                                        2.85910244881589
    0.54733381599840       2    4.66110563882994   -2.21706690518403
                                                    2.58669131803780
    0.38015394895180       2   -3.81111585724043   -0.84012852670136
                                                    0.95278346675863

Sb GTH-PBE0-q23 GTH-HYB-q23
    4    9   10    0
    0.38564172004109       3   24.18386183210129   -4.56547037007209   -0.16195628533373
       3
    0.32428329125072       2    0.71586296336812    4.28490985032661
                                                   -5.81961152277513
    0.38389298798265       2   -0.13697903283234   -0.61441780951555
                                                    0.71723930254037
    0.44856581319806       2    1.76125710645280   -3.09368850504239
                                                    3.59147311147154

Te GTH-PBE0-q6 GTH-HYB-q6
    2    4    0    0
    0.57343022542948       2    8.60957417444172   -0.02534912452473
       3
    0.57607318076947       3    1.38733300149565    0.97904211145183   -0.48652580145062
                                                   -2.05235824014139    1.25573766075236
                                                                       -0.99528687210704
    0.58947360841012       2    0.76373228558752    0.32398798007347
                                                   -0.39416067897667
    0.80400219284452       1    0.33288293060172

Te GTH-PBE0-q16 GTH-HYB-q16
    2    4   10    0
    0.50346956549268       1    3.53174801937635
       3
    0.47252877113727       3   11.03733419716280   -6.57350867998339    1.50686578155223
                                                   10.70352637355877   -3.89070677550939
                                                                        2.70856800129348
    0.52928652859083       2    4.57332243319924   -2.21706620242192
                                                    2.59635350340785
    0.38550494172305       2   -3.81934140040279   -0.84012785698510
                                                    0.85297305605126

Te GTH-PBE0-q24 GTH-HYB-q24
    4   10   10    0
    0.38416007821120       3   24.16766587553985   -4.38560683824319   -0.36040441315003
       3
    0.32245964658674       2    0.79734580137142    4.28491027302847
                                                   -5.89211204532462
    0.34353961662934       2   -0.19036306001347   -0.61441762578327
                                                    0.67188786679236
    0.45317002060594       2    1.75487723664600   -3.09368861736335
                                                    3.69447644156298

I GTH-PBE0-q7 GTH-HYB-q7
    2    5    0    0
    0.55638070081352       1    8.10341471866546
       3
    0.53246200002144       3    2.32875476441843    1.00399549511324   -0.95921812652345
                                                   -2.85581031411179    2.47656443078700
                                                                       -1.96559752028211
    0.58816407712427       2    0.90505098097286    0.42507035172122
                                                   -0.50834367048510
    0.72819514840620       1    0.47900910896619

I GTH-PBE0-q17 GTH-HYB-q17
    2    5   10    0
    0.49429374434813       1    4.23105091022912
       3
    0.46803861527378       3   10.97319338915770   -6.57351418215408    1.50686936173798
                                                   10.67643938501275   -3.89071011651397
                                                                        2.62954159958657
    0.50625878563079       2    4.57688012423255   -2.21706536298350
                                                    2.69613644847953
    0.39072337294807       2   -3.63155198694280   -0.84012790097386
                                                    0.61561361754614

I GTH-PBE0-q25 GTH-HYB-q25
    4   11   10    0
    0.38354490370177       3   24.15347856002845   -4.52262082512189   -0.53385361303014
       3
    0.32249567432469       2    0.98405868054030    4.28490994941777
                                                   -5.99057772129149
    0.31952296445258       2   -0.20496500423781   -0.61441752750250
                                                    0.66920607711536
    0.44759404763608       2    1.75453677853032   -3.09368809508546
                                                    3.77011676407366

Xe GTH-PBE0-q8 GTH-HYB-q8
    2    6    0    0
    0.55611096910356       1    8.03345846178171
       3
    0.53081143059979       3    2.23057118319106    1.20037103280469   -0.99851221659633
                                                   -3.17141673234382    2.57812690911198
                                                                       -2.04559003274302
    0.58134912207345       2    0.79515829567187    0.59123326917291
                                                   -0.70537810651950
    0.67564108609040       1    0.55791089497162

Xe GTH-PBE0-q18 GTH-HYB-q18
    2    6   10    0
    0.49338576977126       1    4.77508666133828
       3
    0.46368904304838       3   10.87303273732963   -6.57351000214475    1.50686625260471
                                                   10.57490398027495   -3.89070809229336
                                                                        2.57007527279090
    0.48962276965223       2    4.57663862652297   -2.21706550019791
                                                    2.68429640888757
    0.40139687003326       2   -3.56098042880444   -0.84012794100895
                                                    0.42801625785957

Xe GTH-PBE0-q26 GTH-HYB-q26
    4   12   10    0
    0.38165009343080       3   24.23551002456779   -4.72655615648896   -0.62659900296555
       3
    0.32969139904140       2    1.12081970133515    4.28490997697466
                                                   -6.26462202139752
    0.32055871939848       2   -0.20404540216319   -0.61441732797669
                                                    0.65867153902447
    0.44526479488643       2    1.76227861176122   -3.09368841141630
                                                    3.76640470742693

Cs GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    1.60180737638063       0
       3
    0.88589211892268       3    0.97367765113559   -0.06478512102303   -0.18759523125913
                                                   -0.03417082993232    0.57685708684992
                                                                       -0.29822152524403
    1.31281974137530       2    0.08128387252363    0.73219285694553
                                                    0.55942826949156
    1.03807231368874       1   -0.65664783488352

Cs GTH-PBE0-q9 GTH-HYB-q9
    3    6    0    0
    0.53999225753278       2   33.31405498035927   -2.92127853361283
       4
    0.46210161474489       2   -3.32297673646667    2.45565203542418
                                                   -3.17024137152530
    0.36646483228382       2   -4.95087972108071    0.84038940511490
                                                   -1.08177119692586
    0.76212597959200       1    0.19848334320607
    0.60555867969517       1   -1.55180397266991

Ba GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    1.11838007017025       1    0.00001746003551
       3
    1.10898674688305       3    1.66325532469758   -0.44754787310644   -0.13878356155945
                                                    0.44750231428767    0.18681590548931
                                                                       -0.18184001727304
    1.26647029926087       2    0.82001196794440   -0.37173282815640
                                                    0.39891644414787
    0.86063234330597       1   -0.83424045283420

Ba GTH-PBE0-q10 GTH-HYB-q10
    4    6    0    0
    0.54077175145532       3   24.49832787564978   -2.47217019930517   -0.01012845315317
       4
    0.47390027083188       2    0.26514070331786    1.16931672300208
                                                   -1.50762349979991
    0.38376884896368       2    0.79806966679881   -1.61683797246029
                                                    2.06158009408717
    0.67039356773759       1    0.42275312226649
    0.32339049028503       1  -19.65223561008490

La GTH-PBE0-q3 GTH-HYB-q3
 NA

La GTH-PBE0-q11 GTH-HYB-q11
    4    6    1    0
    0.53541641123510       3   20.71023845924250   -1.70521057451977    0.01077674403516
       4
    0.53539003899622       2   -0.08721494869961    1.07859772819360
                                                   -1.38944995733806
    0.31274586876657       2    0.05342697720001    0.67328786266353
                                                   -0.58692271040998
    0.60959007451796       1    0.35828019679681
    0.29939512349648       1  -18.49576719400418

La GTH-PBE0-q29 GTH-HYB-q29
 NA


Ce GTH-PBE0-q4 GTH-HYB-q4
 NA

Ce GTH-PBE0-q12 GTH-HYB-q12
    4    6    0    2
    0.53435757651766       2   19.33597409516442   -0.89936227505848
       4
    0.51732201392828       2    1.34414396552510    0.63822694658629
                                                   -1.60604915368129
    0.47311504429290       2    0.81693133391227    0.82459322684865
                                                   -1.56539220158009
    0.67625914117693       1    0.12523959923852
    0.30660474986256       1  -17.24501129549348

Ce GTH-PBE0-q30 GTH-HYB-q30
    6   12   11    1
    0.20018046697634       2  148.04808780577542    3.95315078074725
       4
    0.23848299556286       2    2.25608464318362    4.21351945705851
                                                   -5.42452098133004
    0.16800281591196       3   -4.43034157943189   11.78843538915458    0.01475922416540
                                                  -14.00250142123194   -0.03492627671968
                                                                       -0.05977747823639
    0.17173826590265       1  -15.11583925205440
    0.26526564875676       1   -4.75612850738450


Pr GTH-PBE0-q5 GTH-HYB-q5
 NA

Pr GTH-PBE0-q13 GTH-HYB-q13
    4    6    0    3
    0.53198542925641       2   18.62864446039294   -0.55108049613786
       4
    0.51278990225639       2    1.38256224037481    0.59345298036410
                                                   -1.77080954792058
    0.47443716711604       2    1.18249217700265    0.81048936880435
                                                   -1.88018580633871
    0.94364051959013       1    0.01790809766014
    0.30124403904183       1  -17.98035633038880

Pr GTH-PBE0-q31 GTH-HYB-q31
 NA


Nd GTH-PBE0-q6 GTH-HYB-q6
 NA

Nd GTH-PBE0-q14 GTH-HYB-q14
    4    6    0    4
    0.53013348166446       2   17.82426062499690   -0.41541921627862
       4
    0.50050084762794       2    1.50212320772235    0.83693598645692
                                                   -2.16328704349505
    0.49837939883910       2    0.84178912345450    0.69852371228844
                                                   -1.64918377206728
    0.13303047089356       1   -0.81215053464021
    0.29519696885961       1  -18.60491701993735

Nd GTH-PBE0-q32 GTH-HYB-q32
 NA


Pm GTH-PBE0-q7 GTH-HYB-q7
 NA

Pm GTH-PBE0-q15 GTH-HYB-q15
    4    6    0    5
    0.52625344843153       2   18.12179072573204   -0.49421202208697
       4
    0.48670159731466       2    1.38587752366847    0.98130644198194
                                                   -2.51838377119435
    0.46633527633952       2    0.16625241117531    0.66106596241793
                                                   -1.56810770558228
    0.40737206690801       1   -0.75317022559862
    0.29156169903050       1  -19.30611529206545

Pm GTH-PBE0-q33 GTH-HYB-q33
 NA


Sm GTH-PBE0-q8 GTH-HYB-q8
 NA

Sm GTH-PBE0-q16 GTH-HYB-q16
    4    6    0    6
    0.52678698025111       2   17.25992731023941   -0.72666074908696
       4
    0.47629788750401       2    1.75168139694860    1.03129404190589
                                                   -2.65222089042538
    0.47857755085632       2   -0.09253980512161    0.46790098546903
                                                   -1.11253883184716
    0.41330925499548       1   -0.62837220867217
    0.28464783936611       1  -19.97353809486555

Sm GTH-PBE0-q34 GTH-HYB-q34
 NA


Eu GTH-PBE0-q9 GTH-HYB-q9
 NA

Eu GTH-PBE0-q17 GTH-HYB-q17
    4    6    0    7
    0.53268718126670       2   17.50211153628687   -0.84318971061728
       4
    0.47146282201853       2    1.34524136336253    1.12914153584368
                                                   -2.90364447556059
    0.46512008149310       2    0.51830897219858    0.90207846137691
                                                   -2.13765353678028
    0.48257240411484       1   -0.40741641287993
    0.28120292052529       1  -20.94650944261345

Eu GTH-PBE0-q35 GTH-HYB-q35
 NA


Gd GTH-PBE0-q10 GTH-HYB-q10
 NA

Gd GTH-PBE0-q18 GTH-HYB-q18
    4    6    0    8
    0.51613843736496       2   17.52570549076514   -0.73214194357258
       4
    0.46085142316525       2    1.56878456319825    1.19135827828136
                                                   -3.04117423389506
    0.43695047070421       2   -0.06327029635477    0.66549127655951
                                                   -1.68913171475526
    0.48521135338359       1   -0.52528255262114
    0.27356573543167       1  -21.93083285683965

Gd GTH-PBE0-q36 GTH-HYB-q36
 NA


Tb GTH-PBE0-q11 GTH-HYB-q11
 NA

Tb GTH-PBE0-q19 GTH-HYB-q19
    4    6    0    9
    0.51617098165271       2   17.62064201007797   -0.97656643234548
       4
    0.44658081119357       2    1.84341322388096    1.32962190886466
                                                   -3.42752865656896
    0.41486018211781       2    0.56031402042913    1.17685610049091
                                                   -2.77549601132593
    0.46435364959492       1   -0.61419333903798
    0.26854754719939       1  -22.90717568269188

Tb GTH-PBE0-q37 GTH-HYB-q37
 NA


Dy GTH-PBE0-q12 GTH-HYB-q12
 NA

Dy GTH-PBE0-q20 GTH-HYB-q20
    4    6    0   10
    0.51237674648222       2   16.97830593398394   -0.95074748462653
       4
    0.44022767307411       2    2.04839288877739    1.37231393052106
                                                   -3.55838654811315
    0.44657854725135       2    0.01590683762001    0.86333394613079
                                                   -1.95196136263555
    0.46318277124423       1   -0.56022688605238
    0.26160351026443       1  -24.02796080001765

Dy GTH-PBE0-q38 GTH-HYB-q38
 NA


Ho GTH-PBE0-q13 GTH-HYB-q13
 NA

Ho GTH-PBE0-q21 GTH-HYB-q21
    4    6    0   11
    0.50932497337287       2   16.78497538075158   -1.16494115576969
       4
    0.43162589601497       2    2.05934067714896    1.42219486118282
                                                   -3.66124505411896
    0.42428247269309       2    0.36491765490116    0.99398777487478
                                                   -2.35789939794171
    0.44438521118142       1   -0.64630370549668
    0.25512304437773       1  -25.29676648986801

Ho GTH-PBE0-q39 GTH-HYB-q39
 NA


Er GTH-PBE0-q14 GTH-HYB-q14
 NA

Er GTH-PBE0-q22 GTH-HYB-q22
    4    6    0   12
    0.50627672793144       2   17.09456098470777   -1.42811135465731
       4
    0.41983108175722       2    2.13498834243347    1.54121528153161
                                                   -3.98779736442798
    0.41367671505236       2    0.03509144884873    0.96870347190254
                                                   -2.29261755677130
    0.41397364595134       1   -0.94075383973219
    0.24905726926693       1  -26.88761159902912

Er GTH-PBE0-q40 GTH-HYB-q40
 NA


Tm GTH-PBE0-q15 GTH-HYB-q15
 NA

Tm GTH-PBE0-q23 GTH-HYB-q23
    4    6    0   13
    0.50363922263936       2   17.45444818346997   -1.62731960474459
       4
    0.41320795289690       2    1.90566195987040    1.59636945935578
                                                   -4.13339845154859
    0.41701590951248       2   -0.09359236430931    0.94152785761879
                                                   -2.22194146829111
    0.38638244799444       1   -1.26025939367907
    0.24382568929796       1  -28.40483686212179

Tm GTH-PBE0-q41 GTH-HYB-q41
 NA


Yb GTH-PBE0-q16 GTH-HYB-q16
 NA

Yb GTH-PBE0-q24 GTH-HYB-q24
    4    6    0   14
    0.50110122903260       2   17.37756444863115   -1.75277408291166
       4
    0.40020567427740       2    2.01878077108036    1.85663892628922
                                                   -4.80823826448902
    0.41489047733704       2   -0.91916018136833    0.69958324684585
                                                   -1.69347142453191
    0.44493534907879       1   -0.84126538039618
    0.23863839249712       1  -30.12563669962062

Yb GTH-PBE0-q42 GTH-HYB-q42
 NA


Lu GTH-PBE0-q17 GTH-HYB-q17
 NA

Lu GTH-PBE0-q25 GTH-HYB-q25
    4    6    1   14
    0.49583483079839       2   17.17043569605160   -1.64109589504679
       4
    0.39182699303787       2    2.18878041555740    2.09462166603810
                                                   -5.40480197418556
    0.39175078362195       2   -0.71317231045242    1.15403962414441
                                                   -2.73064191177908
    0.43495938919755       1   -1.11223182438336
    0.23256040661235       1  -32.04581989027864

Lu GTH-PBE0-q43 GTH-HYB-q43
 NA

Hf GTH-PBE0-q4 GTH-HYB-q4
 NA

Hf GTH-PBE0-q12 GTH-HYB-q12
    4    6    2    0
    0.56024986918279       2   15.58183675575812   -2.43725929706424
       3
    0.31668480966579       3  -10.61724905703433   27.37270654095755  -14.96161645136482
                                                  -59.66226373884808   38.63063327958110
                                                                      -30.65264219248499
    0.36225945350842       2   -9.64231764786050    9.22329592547209
                                                  -10.91772022983422
    0.41558095611635       2   -2.74995447868884    0.48132614154593
                                                   -0.54586947951828

Ta GTH-PBE0-q5 GTH-HYB-q5
    2    0    3    0
    0.75415255406993       1    3.64060307231757
       3
    0.59795825694692       2    2.00513799429726   -1.17236670703725
                                                    3.06511786626490
    0.77092296395642       2    0.51859427753826   -0.50082521965028
                                                    1.21475965000048
    0.53439339128827       2   -2.20224336246547    0.73493469550423
                                                   -1.68665197722005

Ta GTH-PBE0-q13 GTH-HYB-q13
    4    6    3    0
    0.55008706870761       2   13.35250228411079   -2.24819584211888
       3
    0.40157026215959       3   -4.34446910892908    4.17649624370190    1.87560457704440
                                                   -2.34133621599048   -4.84279720882884
                                                                        3.84360129123081
    0.35658035013143       2   -7.58045016210461    8.17895578918129
                                                   -9.67807668788804
    0.41821865050474       2   -1.11319164246452   -0.87532794186156
                                                    0.99271959396631

W GTH-PBE0-q6 GTH-HYB-q6
    2    0    4    0
    0.71819020811850       1   10.67476033024212
       3
    0.46026111971902       2    5.80351117419071   -2.07062684292468
                                                    2.67316354940468
    0.72686075373307       2    1.78876010241614   -2.55400823139287
                                                    3.02213969003300
    0.50218359734451       2  -10.59724161423543    6.44789391214313
                                                   -7.29780041054812

W GTH-PBE0-q14 GTH-HYB-q14
    4    6    4    0
    0.54002731291602       2   13.34774010869628   -2.19682078694050
       3
    0.39797497159743       3   -4.05609274734051    3.83543754728059    2.23316492601536
                                                   -1.31912871453640   -5.76603429975949
                                                                        4.57671938747027
    0.35354495615670       2   -7.38257873133856    8.11232847899823
                                                   -9.59870666582495
    0.41215610216168       2   -0.95438474513300   -1.06744667756418
                                                    1.21063277974058

Re GTH-PBE0-q7 GTH-HYB-q7
    2    0    5    0
    0.69298231544817       1    8.20756968809177
       3
    0.52627160536447       2    2.26947142732698   -1.36659450033267
                                                    3.59348090599270
    0.74640902324449       2    0.49733683138121   -0.39099212775483
                                                    0.98664719709702
    0.50059318208396       2   -3.69370857603106    0.83544056577466
                                                   -1.90390901071021

Re GTH-PBE0-q15 GTH-HYB-q15
    4    6    5    0
    0.52997285904335       2   13.33436905301462   -2.20630082936233
       3
    0.39449957252489       3   -3.61872732446956    3.15477963662119    2.85593652687816
                                                    0.57231583331367   -7.37399187530555
                                                                        5.85270030911471
    0.35250886769809       2   -6.94121285743459    7.56675933361921
                                                   -8.95302008759301
    0.40184294758555       2   -0.89971015667554   -1.14916973974504
                                                    1.30348552217080

Os GTH-PBE0-q8 GTH-HYB-q8
    2    0    6    0
    0.64507151603827       1   10.73286277449444
       3
    0.53177373753989       2    2.44691623540353   -1.08870944404561
                                                    2.86729238591781
    0.69335559363265       2    0.46207466181081   -0.55128652345341
                                                    1.32282482123873
    0.47739995280709       2   -4.53497158119657    0.72115631033119
                                                   -1.63531937524880

Os GTH-PBE0-q16 GTH-HYB-q16
    4    6    6    0
    0.51992634929299       2   13.40287732367145   -2.21907397920540
       3
    0.39116041267532       3   -3.19951959252712    2.36002776791603    3.61102936368631
                                                    2.82627585968620   -9.32363273065727
                                                                        7.39926617410499
    0.34932734462228       2   -6.77016191822609    7.52932078172420
                                                   -8.90879794853579
    0.39266522662355       2   -0.94292266051909   -1.08157466647373
                                                    1.22688116336281

Ir GTH-PBE0-q9 GTH-HYB-q9
    2    0    7    0
    0.64182317440841       1   10.73858783892634
       3
    0.51582858732660       2    2.51663527444945   -1.08870878236702
                                                    2.98528585687985
    0.69533566275980       2    0.46227132325161   -0.55141450411545
                                                    1.34242375599999
    0.47174617020559       2   -4.54558101240647    0.72115615861100
                                                   -1.67538915349630

Ir GTH-PBE0-q17 GTH-HYB-q17
    4    6    7    0
    0.50988146252237       2   13.34884185543559   -2.31888032076855
       3
    0.38861347952724       3   -2.45167561391414    1.05519374596523    4.67505276128191
                                                    6.24163693235254  -12.07094202815554
                                                                        9.57928669808643
    0.34537088840506       2   -6.59291536166301    7.35318123008764
                                                   -8.59817439786289
    0.37865487271445       2   -0.85566147657871   -1.17534747268734
                                                    1.33423941377202

Pt GTH-PBE0-q10 GTH-HYB-q10
    1    0    9    0
    0.61777697260177       1   11.03035088916397
       3
    0.53084230754422       2    2.44769893705086   -1.02259918483522
                                                    2.64313354995566
    0.66029808612846       2    0.40839450200127   -0.69558086797303
                                                    1.64770956780822
    0.45427348699716       2   -4.55143776235838    0.92707001260747
                                                   -2.09721853371832

Pt GTH-PBE0-q18 GTH-HYB-q18
    3    6    9    0
    0.50039858662197       2    8.67957287434169   -0.29113947694976
       3
    0.29809308506356       3   -6.01454900051217   24.21291522235697  -13.78969416099537
                                                  -53.68675683058370   35.60480776723914
                                                                      -28.25959319868022
    0.36040046930173       3   -6.69371000083147    7.17066277379569    0.76690082591818
                                                   -7.20819445027887   -1.81482215859742
                                                                        1.28963482154866
    0.34052882103722       2   -8.68989240025152    9.41012046498719
                                                  -10.66902256582315

Au GTH-PBE0-q1 GTH-HYB-q1
    1    0    0    0
    0.64996892609238       2   -1.90266521618930   -1.76546863496289
       2
    0.91914287331124       3    1.53946100497690    0.18155475641272   -0.19323569043594
                                                   -0.38879623963039    0.49893764692574
                                                                       -0.79194909328247
    1.16302291693143       3    0.47122924805283    0.27504754118185   -0.06236060032456
                                                   -0.49753922785979    0.14757136222343
                                                                       -0.23637108624705

Au GTH-PBE0-q11 GTH-HYB-q11
    1    0   10    0
    0.59046788628406       1   11.69002632667821
       3
    0.52125944636833       2    2.70196920519093   -1.04613682276737
                                                    2.87085071096505
    0.63876059862787       2    0.42931381734934   -0.86959224600514
                                                    2.07625796927703
    0.44081972890848       2   -4.71911029657447    0.72777082244228
                                                   -1.73035298000374

Au GTH-PBE0-q19 GTH-HYB-q19
    3    6   10    0
    0.49174285772121       2    7.20872350652897    0.46180751560279
       3
    0.29437421945982       3   -5.79790358793614   26.10502327569718  -15.17621710646925
                                                  -58.38321766990947   39.18481754272661
                                                                      -31.15483456167002
    0.35509604676210       3   -5.86778468570730    4.73148917872969    2.92707134064692
                                                   -0.72361878636216   -6.92677260237464
                                                                        4.85924666094793
    0.35395517669265       2   -8.72453912571020    9.49191275419864
                                                  -10.76225477338976

Hg GTH-PBE0-q2 GTH-HYB-q2
    2    0    0    0
    0.64005615037534       1   -3.29122654607340
       3
    0.81235732163165       3    1.78295772991649    0.18052940599715   -0.19516474665142
                                                   -0.46590283538746    0.50391489047485
                                                                       -0.76193818486235
    1.05376189885119       2    0.48270968370836    0.22470126575976
                                                   -0.50040320010518
    1.10000733281827       1    0.22160903994900

Hg GTH-PBE0-q12 GTH-HYB-q12
    2    0   10    0
    0.56993154733177       1    8.32349944051629
       3
    0.52972937615025       2    6.96895373728398   -2.96993839583161
                                                    3.83454938529570
    0.63935768933537       2    3.50642777740271   -1.72279131494822
                                                    2.03818171688725
    0.40842465762247       2   -8.61396361793033    5.00756430280148
                                                   -5.77835782742904

Hg GTH-PBE0-q20 GTH-HYB-q20
    4    6   10    0
    0.49183599747192       2    7.15304535049555    0.46355794713638
       3
    0.29455906392265       3   -5.75010236797051   26.10502327693974  -15.17621710349779
                                                  -58.38226532280054   39.18481754544283
                                                                      -31.30351545850332
    0.36470096562045       3   -5.90360741137324    4.73148920678418    2.92707137613307
                                                   -0.72361878639024   -6.92677258441547
                                                                        4.86124665094224
    0.35395517668345       2   -8.72453912571570    9.49191276663876
                                                  -10.76225477339752

Tl GTH-PBE0-q3 GTH-HYB-q3
    2    1    0    0
    0.62647368996369       1   -1.20660372230836
       3
    0.75425159594019       3    1.88170940571513    0.11761501260729   -0.19062689387261
                                                   -0.28332510159270    0.49219565147667
                                                                       -0.75278623903067
    0.90689699948709       2    0.75993496288795    0.24793529655134
                                                   -0.54081826599429
    1.06353147551937       1    0.29464540403369

Tl GTH-PBE0-q13 GTH-HYB-q13
    2    1   10    0
    0.54949437444551       1   12.44640827784958
       3
    0.51411085490839       2    7.41273994277269   -2.86298734109749
                                                    3.70705243180473
    0.58159466576799       2    4.82880414562003   -3.67321372829693
                                                    4.37371926053054
    0.39714534724662       2  -11.01554724124619    6.42159595383396
                                                   -7.28066338719119

Tl GTH-PBE0-q21 GTH-HYB-q21
    4    7   10    0
    0.48228715432011       2    7.16535619511412    0.45794938017063
       3
    0.29070341183403       3   -5.74842546176601   26.10502658453589  -15.17621990757262
                                                  -58.38126277853097   39.18481546056766
                                                                      -31.30618060989302
    0.37208527856211       3   -5.90313084339780    4.73149478347705    2.92706635086560
                                                   -0.68981818175140   -6.92676987610893
                                                                        4.86977645292901
    0.34775200888636       2   -8.73118388020457    9.49191072152406
                                                  -10.79745918677548

Pb GTH-PBE0-q4 GTH-HYB-q4
    2    2    0    0
    0.62364000090222       1    0.77221004541627
       3
    0.70898481414446       3    1.98037479242385    0.06388697414931   -0.19665742345251
                                                   -0.15036792738725    0.50776957859056
                                                                       -0.77941908028868
    0.84976932517943       2    0.88734716146093    0.22860202411359
                                                   -0.50575315515017
    0.97200093928749       1    0.46662589482662

Pb GTH-PBE0-q14 GTH-HYB-q14
    2    2   10    0
    0.53143611291315       2   12.35492772583736    0.08763839849296
       3
    0.49543734036331       2    8.43300755672636   -3.44003639039893
                                                    4.37224087371150
    0.57153121837397       2    4.99394068046858   -2.89631051820598
                                                    3.43342891748414
    0.40482417973876       2   -7.02630104994527    1.83782695933137
                                                   -2.08559496496839

Pb GTH-PBE0-q22 GTH-HYB-q22
    4    8   10    0
    0.47371681419328       2    7.16687246987888    0.46070473872242
       3
    0.28877730835026       3   -5.75048490578438   26.10502182327107  -15.17621262567686
                                                  -58.38174616753566   39.18480346895358
                                                                      -31.34567878787686
    0.37255750557032       3   -5.90348507623183    4.73149153049708    2.92706739842061
                                                   -0.70009384522400   -6.92677075336289
                                                                        4.88435862159497
    0.34744526642432       2   -8.72582945129158    9.49190998548023
                                                  -10.79448383032680

Bi GTH-PBE0-q5 GTH-HYB-q5
    2    3    0    0
    0.61128441938872       1    6.68384428004927
       3
    0.67892565535151       3    1.37759417063711    0.19895415852839   -0.11491887270656
                                                   -0.49279699040239    0.29671919754649
                                                                       -0.46104945045358
    0.79885508055645       2    0.66819079503028    0.17027009399781
                                                   -0.37555450814866
    0.93471267207946       1    0.38573665209520

Bi GTH-PBE0-q15 GTH-HYB-q15
    2    3   10    0
    0.49575351030461       3   13.04445202017030    0.36104002719347    0.01315257283195
       3
    0.48213958647848       2    9.34567567430157   -3.94512154993918
                                                    5.11961536582392
    0.55002423744642       2    5.77422112027252   -3.17707724180020
                                                    3.77100547506380
    0.39305737093862       2   -6.13531008233501    0.92523271816507

Bi GTH-PBE0-q23 GTH-HYB-q23
    4    9   10    0
    0.46410586446270       2    7.16397040233069    0.45311262721551
       3
    0.28687519025442       3   -5.74876593430303   26.10501675618612  -15.17620866097014
                                                  -58.39055545075936   39.18480578253477
                                                                      -31.36054775254877
    0.37824034734210       3   -5.89693085061748    4.73149195995514    2.92707002105831
                                                   -0.69614846402099   -6.92677426137030
                                                                        4.88328677931254
    0.34948065369247       2   -8.72254786204932    9.49191211399442
                                                  -10.78119092988928

Po GTH-PBE0-q6 GTH-HYB-q6
    2    4    0    0
    0.59227260590978       2    8.11685921457819   -0.00287540184852
       3
    0.80468296000970       3    0.32319496485814    0.10537777450781    0.52811380519156
                                                    0.72216867022260   -1.36353978532723
                                                                        1.07439925472915
    0.81435842095458       2    0.13711245287733    0.37530593028209
                                                   -0.44505230268145
    0.87752459001074       1    0.46099252226611

Po GTH-PBE0-q16 GTH-HYB-q16
    2    4   10    0
    0.49743540214922       3   13.05694114062113    0.33153933895338   -0.06744578603329
       3
    0.47887939734773       2    9.34614745865130   -3.94512051753591
                                                    5.12201954764482
    0.54474232197144       2    5.74746150865124   -3.17707859396190
                                                    3.73962768950176
    0.38845126405265       2   -6.12101174308600    0.92523255535845
                                                   -1.05673345756731

Po GTH-PBE0-q24 GTH-HYB-q24
    4   10   10    0
    0.45372801033635       2    7.27792043427947    0.28798287227207
       3
    0.28381004451473       3   -5.83443313963630   26.10502106674624  -15.17621119261499
                                                  -58.39220672323978   39.18480629457009
                                                                      -31.36019891143830
    0.38157344915130       3   -5.82331968697793    4.73149053524791    2.92707150061591
                                                   -0.70496021568301   -6.92677409374979
                                                                        4.83535670965798
    0.35031168212059       2   -8.78072485948818    9.49191241723744
                                                  -10.77898406186207

At GTH-PBE0-q7 GTH-HYB-q7
    2    5    0    0
    0.57854570100851       1   14.03823047722140
       3
    0.67537379951655       3   -0.38752902723062    0.66111842890757    0.27883962554547
                                                   -0.39764791806750   -0.71995437852988
                                                                        0.57343910899059
    0.64086765999482       2    0.25345712474904    0.32623089975271
                                                   -0.39584535773553
    0.86810792372362       1    0.37743887453860

At GTH-PBE0-q17 GTH-HYB-q17
    2    5   10    0
    0.49711470676275       3   13.05959922753461    0.36237708068645   -0.05189687080116
       3
    0.46509989203309       2    9.33659926409890   -3.94512039823949
                                                    5.11916032583543
    0.52861733058444       2    5.77724806099073   -3.17707666720248
                                                    3.76960483510735
    0.39184496841392       2   -6.13476574663646    0.92523284488507
                                                   -1.05548295601370

At GTH-PBE0-q25 GTH-HYB-q25
    4   11   10    0
    0.44569764417885       2    7.28653159905284    0.22431981275979
       3
    0.28100128452649       3   -5.88162499489847   26.10502865006526  -15.17622023462096
                                                  -58.39110987109811   39.18480825945940
                                                                      -31.52429232631016
    0.37651351859992       3   -5.80802301131739    4.73149335004363    2.92707006852837
                                                   -0.69791521459452   -6.92677784272569
                                                                        4.71857480622526
    0.35317075774170       2   -8.77621410364351    9.49191152104909
                                                  -10.90564444898982

Rn GTH-PBE0-q8 GTH-HYB-q8
    2    6    0    0
    0.56658964137194       1   16.14150873076002
       3
    0.63513250807732       3   -0.57892548857852    0.80314766440409    0.29737178069752
                                                   -0.54930653494691   -0.76783445018935
                                                                        0.61113917597902
    0.64420536238912       2    0.16105077276862    0.30517448509091
                                                   -0.37271255355224
    0.80622847694103       1    0.46754852232680

Rn GTH-PBE0-q18 GTH-HYB-q18
    2    6   10    0
    0.50322128224708       3   13.12919536780443    0.17808032059250   -0.16994331708627
       3
    0.46679019385034       2    9.39536355533251   -3.94512093960064
                                                    5.00251871755564
    0.52929002974366       2    5.76636688943086   -3.17707738827436
                                                    3.69110364545208
    0.39189113777838       2   -6.03902350428643    0.92523279490258
                                                   -1.05651716824735

Rn GTH-PBE0-q26 GTH-HYB-q26
    4   12   10    0
    0.43476218264302       2    7.30080803216218    0.18855255700726
       3
    0.27659215878088       3   -5.82982179947157   26.10502824202147  -15.17622215989957
                                                  -58.40476567218267   39.18480838309099
                                                                      -31.68950961214898
    0.37190800909793       3   -5.78553697182725    4.73149295708939    2.92706822576379
                                                   -0.71241188656383   -6.92677562083924
                                                                        4.59274015984588
    0.35162219194526       2   -8.79900625798071    9.49190967318642
                                                  -11.08064146108636


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