LnPP1_POTENTIALS

# Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments
# Jun-Bo Lu, David C. Cantu, Manh-Thuong Nguyen, Jun Li, Vassiliki-Alexandra Glezakoui, Roger Rousseau
# J. Chem. Theory Comput. 2019, 15, 11, 5987-5997
# https://doi.org/10.1021/acs.jctc.9b00553

# Supporting Information
# Norm-conserving pseudopotentials and basis sets to explore
# Lanthanide chemistry in complex environments
# Jun-Bo Lu, David C. Cantub , Manh-Thuong Nguyen, Jun Lia, Vassiliki-Alexandra Glezakou, Roger Rousseau
#
# Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering
# of the Ministry of Education, Tsinghua University, Beijing 100084, China
#
# Chemical and Materials Engineering, University of Nevada, Reno, Reno, Nevada 89557, USA
#
# Basic and Applied Molecular Foundations, Pacific Northwest National Laboratory, P.O. Box 999,
# Richland, Washington 99352, USA
# Corresponding authors: junli@tsinghua.edu.cn, vanda.glezakou@pnnl.gov, roger.rousseau@pnnl.gov

La GTH-PBE-q11
4 6 1 0
0.536621886 2  20.187083390   -1.461153313
4
0.541927081 2   1.342431782    0.450502384
                              -1.181781197
0.478778498 3   0.979802043    0.376291820   0.008876396
                              -0.824267358  -0.021005386
                                             0.029857280
0.626441601 1   0.328796868
0.300352697 1 -18.352319697

Ce GTH-PBE-q12
4 6 1 1
0.539004680 2  18.85114190    -0.77960224
4
0.498081460 2   1.19529290     0.62204575
                              -1.62871685
0.47069322  2   1.18088300     0.55487102
                              -1.53066452
0.65606409  1   0.07990999
0.30705426  1 -17.32458585

Pr GTH-PBE-q13
4 6 0 3
0.532486240 2  18.514048206   -0.582682182
4
0.524682347 2   1.598493376    0.440830770
                              -1.719989118
0.461080992 2   0.890293235    0.917885701
                              -1.989243896
0.571698543 1   0.017967543
0.301480737 1 -17.898484476

Nd GTH-PBE-q14
4 6 0 4
0.531351369 2  18.007481210   -0.707850932
4
0.494947486 2   1.730672873    0.811897086
                              -2.169289264
0.483476215 2   0.754160538    0.658311314
                              -1.583172072
0.380970008 1   0.043574337
0.294938171 1 -18.499650577

Pm GTH-PBE-q15
4 6 0 5
0.528636435 2  18.245839784   -0.486314424
4
0.484664155 2   1.282682334    0.959291011
                              -2.495974035
0.472066166 2   0.193983187    0.667699003
                              -1.597663074
0.473753437 1  -0.430483026
0.291785846 1 -19.326738513

Sm GTH-PBE-q16
4 6 0 6
0.525294147 2  17.251599705   -0.531859084
4
0.479541125 2   1.730666754    1.009862710
                              -2.661213312
0.489714555 2  -0.091063341    0.465485746
                              -1.109941887
0.470798767 1  -0.410255744
0.284444333 1 -19.973327048

Eu GTH-PBE-q17
4 6 0 7
0.522100054 2  17.359358474   -0.648460166
4
0.468993404 2   1.776114604    1.117935246
                              -2.917719665
0.445886269 2   0.500415952    0.890257661
                              -2.117280466
0.489972387 1  -0.425678559
0.278525768 1 -20.949306600

Gd GTH-PBE-q18
4 6 1 7
0.517500043 2  17.556643024   -0.667762780
4
0.462629406 2   1.481423675    1.139411985
                              -2.993835804
0.457796465 2  -0.173373434    0.619844494
                              -1.515130079
0.484114514 1  -0.566029370
0.273335071 1 -21.965466277

Tb GTH-PBE-q29
4 6 10 9
0.500000000 1 -7.272801776
4
0.259166302 2 229.865072125 -254.613943211
                             295.196064370
0.270251357 2 398.718952272 -233.124922698
                             168.561767849
0.245407837 1 -13.288686713
0.180455163 1 -33.908357345

Dy GTH-PBE-q30
4 6 10 10
0.500000000 1  -7.465003311
4
0.252286021 2 233.922888625 -255.562057179
                             292.904849233
0.266723795 2 390.748247766 -235.364530025
                             169.923036441
0.252493399 1 -13.041564434
0.180670438 1 -34.118812490

Ho GTH-PBE-q31
4 6 10 11
0.500000000 1  -7.070002029
4
0.242339356 2 237.963483100 -257.518622800
                             293.321138600
0.261022150 2 434.742743633 -250.778942067
                             168.922458067
0.259084819 1 -13.212357286
0.183863195 1 -33.334176813

Er GTH-PBE-q32
4 6 10 12
0.500000000 1  -8.440641881
4
0.240632456 2 229.192874000 -251.217461600
                             288.569581400
0.262955148 2 452.933664300 -246.816963067
                             158.044670000
0.251742832 1 -14.143079042
0.175943441 1 -37.369242337

Tm GTH-PBE-q33
4 6 10 13
0.500000000 1  -7.820984622
4
0.229824520 2 237.571048959 -252.425857659
                             284.841129864
0.245648958 2 439.356463332 -234.946254129
                             160.668667820
0.268822896 1 -13.225193664
0.180076023 1 -35.800235126

Yb GTH-PBE-q34
4 6 10 14
0.500000000 1  -7.857588330
4
0.217536443 2 261.367665552 -258.017370096
                             284.373264272
0.278341463 2 452.078741970 -249.539240792
                             147.629693880
0.269939733 1 -13.844248648
0.185203058 1 -33.857938124

Lu GTH-PBE-q35
4 6 11 14
0.490000000  1  -8.165545656
4
0.220945258  2 317.613963120  -245.012664370
                               227.382408876
0.252847006  2 515.381490011  -256.956789586
                               148.927676699
0.222838425  1 -20.524328427
0.184835572  1 -34.437891752