47_Ag_19_1.9_2.5_pbe_n_v1.0.psp8

Ag    ONCVPSP-4.0.1  r_core=   1.90541   2.21278   2.46435
     47.0000     19.0000      210704    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  7.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   4
     1  0.0000000000000E+00 -2.6696295834113E+01
     2  1.0000000000000E-02 -2.6695421631486E+01
     3  2.0000000000000E-02 -2.6692795012218E+01
     4  3.0000000000000E-02 -2.6688418251373E+01
     5  4.0000000000000E-02 -2.6682292739515E+01
     6  5.0000000000000E-02 -2.6674420386916E+01
     7  6.0000000000000E-02 -2.6664803588779E+01
     8  7.0000000000000E-02 -2.6653445181609E+01
     9  8.0000000000000E-02 -2.6640348391931E+01
    10  9.0000000000000E-02 -2.6625516778521E+01
    11  1.0000000000000E-01 -2.6608954169402E+01
    12  1.1000000000000E-01 -2.6590664594915E+01
    13  1.2000000000000E-01 -2.6570652218286E+01
    14  1.3000000000000E-01 -2.6548921264986E+01
    15  1.4000000000000E-01 -2.6525475952294E+01
    16  1.5000000000000E-01 -2.6500320420263E+01
    17  1.6000000000000E-01 -2.6473458665260E+01
    18  1.7000000000000E-01 -2.6444894477104E+01
    19  1.8000000000000E-01 -2.6414631380685E+01
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   465  4.6400000000000E+00  7.1773201452646E-03  7.1778624766726E-03  2.4182438689287E-23
   466  4.6500000000000E+00  7.0740594890996E-03  7.0745920572018E-03  2.1189109891189E-23
   467  4.6600000000000E+00  6.9723571263039E-03  6.9728801152223E-03  1.8566442655167E-23
   468  4.6700000000000E+00  6.8721879889438E-03  6.8727015791502E-03  1.6268530751111E-23
   469  4.6800000000000E+00  6.7735274449093E-03  6.7740318133017E-03  1.4255139016426E-23
   470  4.6900000000000E+00  6.6763512896497E-03  6.6768466096266E-03  1.2491018514091E-23
   471  4.7000000000000E+00  6.5806357380776E-03  6.5811221796113E-03  1.0945290366210E-23
   472  4.7100000000000E+00  6.4863574166414E-03  6.4868351463491E-03  9.5947999514273E-24
   473  4.7200000000000E+00  6.3934933555661E-03  6.3939625367794E-03  8.4092016066034E-24
   474  4.7300000000000E+00  6.3020209812495E-03  6.3024817740832E-03  7.3645213165838E-24
   475  4.7400000000000E+00  6.2119181088172E-03  6.2123706702356E-03  6.4118755586133E-24
   476  4.7500000000000E+00  6.1231629348352E-03  6.1236074187174E-03  5.6103557990372E-24
   477  4.7600000000000E+00  6.0357340301649E-03  6.0361705873690E-03  4.9840530835125E-24
   478  4.7700000000000E+00  5.9496103329695E-03  5.9500391113945E-03  4.5537128305520E-24
   479  4.7800000000000E+00  5.8647711418650E-03  5.8651922865124E-03  4.0118379481590E-24
   480  4.7900000000000E+00  5.7811961092055E-03  5.7816097622386E-03  3.1245929876109E-24
   481  4.8000000000000E+00  5.6988652345099E-03  5.6992715353128E-03  1.8233451041737E-24
   482  4.8100000000000E+00  5.6177588580226E-03  5.6181579432569E-03  5.7441265103990E-25
   483  4.8200000000000E+00  5.5378576544007E-03  5.5382496580616E-03 -1.9245672131078E-25
   484  4.8300000000000E+00  5.4591426265335E-03  5.4595276800047E-03 -3.2117139328375E-25
   485  4.8400000000000E+00  5.3815950994856E-03  5.3819733315927E-03 -1.3049356343904E-25
   486  4.8500000000000E+00  5.3051967145601E-03  5.3055682516230E-03  4.6600647503966E-26
   487  4.8600000000000E+00  5.2299294234845E-03  5.2302943893687E-03  7.2985310035476E-26
   488  4.8700000000000E+00  5.1557754827125E-03  5.1561339988794E-03  2.6885020009042E-26
   489  4.8800000000000E+00  5.0827174478373E-03  5.0830696333930E-03 -6.1774361308596E-27
   490  4.8900000000000E+00  5.0107381681217E-03  5.0110841398653E-03 -8.8374356589899E-27
   491  4.9000000000000E+00  4.9398207811334E-03  4.9401606536037E-03 -2.7829483890313E-27
   492  4.9100000000000E+00  4.8699487074878E-03  4.8702825930096E-03  0.0000000000000E+00
   493  4.9200000000000E+00  4.8011056456979E-03  4.8014336544268E-03  0.0000000000000E+00
   494  4.9300000000000E+00  4.7332755671241E-03  4.7335978070907E-03  0.0000000000000E+00
   495  4.9400000000000E+00  4.6664427110233E-03  4.6667592881761E-03  0.0000000000000E+00
   496  4.9500000000000E+00  4.6005915796997E-03  4.6009025979475E-03  0.0000000000000E+00
   497  4.9600000000000E+00  4.5357069337475E-03  4.5360124950004E-03  0.0000000000000E+00
   498  4.9700000000000E+00  4.4717737873879E-03  4.4720739915981E-03  0.0000000000000E+00
   499  4.9800000000000E+00  4.4087774039011E-03  4.4090723491019E-03  0.0000000000000E+00
   500  4.9900000000000E+00  4.3467032911435E-03  4.3469930734885E-03  0.0000000000000E+00
   501  5.0000000000000E+00  4.2855371971544E-03  4.2858219109552E-03  0.0000000000000E+00
   502  5.0100000000000E+00  4.2252651058510E-03  4.2255448436141E-03  0.0000000000000E+00
   503  5.0200000000000E+00  4.1658732328036E-03  4.1661480852670E-03  0.0000000000000E+00
   504  5.0300000000000E+00  4.1073480210942E-03  4.1076180772628E-03  0.0000000000000E+00
   505  5.0400000000000E+00  4.0496761372587E-03  4.0499414844389E-03  0.0000000000000E+00
   506  5.0500000000000E+00  3.9928444673030E-03  3.9931051911369E-03  0.0000000000000E+00
   507  5.0600000000000E+00  3.9368401127988E-03  3.9370962972977E-03  0.0000000000000E+00
   508  5.0700000000000E+00  3.8816503870567E-03  3.8819021146333E-03  0.0000000000000E+00
   509  5.0800000000000E+00  3.8272628113690E-03  3.8275101628696E-03  0.0000000000000E+00
   510  5.0900000000000E+00  3.7736651113273E-03  3.7739081660632E-03  0.0000000000000E+00
   511  5.1000000000000E+00  3.7208452132122E-03  3.7210840489899E-03  0.0000000000000E+00
   512  5.1100000000000E+00  3.6687912404495E-03  3.6690259336010E-03  0.0000000000000E+00
   513  5.1200000000000E+00  3.6174915101350E-03  3.6177221355470E-03  0.0000000000000E+00
   514  5.1300000000000E+00  3.5669345296279E-03  3.5671611607706E-03  0.0000000000000E+00
   515  5.1400000000000E+00  3.5171089932071E-03  3.5173317021622E-03  0.0000000000000E+00
   516  5.1500000000000E+00  3.4680037787908E-03  3.4682226362792E-03  0.0000000000000E+00
   517  5.1600000000000E+00  3.4196079447211E-03  3.4198230201297E-03  0.0000000000000E+00
   518  5.1700000000000E+00  3.3719107266074E-03  3.3721220880158E-03  0.0000000000000E+00
   519  5.1800000000000E+00  3.3249015342301E-03  3.3251092484358E-03  0.0000000000000E+00
   520  5.1900000000000E+00  3.2785699485035E-03  3.2787740810480E-03  0.0000000000000E+00
   521  5.2000000000000E+00  3.2329057184964E-03  3.2331063336896E-03  0.0000000000000E+00
   522  5.2100000000000E+00  3.1878987585070E-03  3.1880959194514E-03  0.0000000000000E+00
   523  5.2200000000000E+00  3.1435391451950E-03  3.1437329138097E-03  0.0000000000000E+00
   524  5.2300000000000E+00  3.0998171147675E-03  3.1000075518112E-03  0.0000000000000E+00
   525  5.2400000000000E+00  3.0567230602153E-03  3.0569102253094E-03  0.0000000000000E+00
   526  5.2500000000000E+00  3.0142475286039E-03  3.0144314802547E-03  0.0000000000000E+00
   527  5.2600000000000E+00  2.9723812184145E-03  2.9725620140350E-03  0.0000000000000E+00
   528  5.2700000000000E+00  2.9311149769329E-03  2.9312926728644E-03  0.0000000000000E+00
   529  5.2800000000000E+00  2.8904397976888E-03  2.8906144492216E-03  0.0000000000000E+00
   530  5.2900000000000E+00  2.8503468179434E-03  2.8505184793375E-03  0.0000000000000E+00
   531  5.3000000000000E+00  2.8108273162213E-03  2.8109960407267E-03  0.0000000000000E+00
   532  5.3100000000000E+00  2.7718727098895E-03  2.7720385497658E-03  0.0000000000000E+00
   533  5.3200000000000E+00  2.7334745527833E-03  2.7336375593185E-03  0.0000000000000E+00
   534  5.3300000000000E+00  2.6956245328716E-03  2.6957847564020E-03  0.0000000000000E+00
   535  5.3400000000000E+00  2.6583144699692E-03  2.6584719598971E-03  0.0000000000000E+00
   536  5.3500000000000E+00  2.6215363134900E-03  2.6216911183022E-03  0.0000000000000E+00
   537  5.3600000000000E+00  2.5852821402414E-03  2.5854343075268E-03  0.0000000000000E+00
   538  5.3700000000000E+00  2.5495441522584E-03  2.5496937287257E-03  0.0000000000000E+00
   539  5.3800000000000E+00  2.5143146746799E-03  2.5144617061745E-03  0.0000000000000E+00
   540  5.3900000000000E+00  2.4795861536619E-03  2.4797306851825E-03  0.0000000000000E+00
   541  5.4000000000000E+00  2.4453511543286E-03  2.4454932300436E-03  0.0000000000000E+00
   542  5.4100000000000E+00  2.4116023587626E-03  2.4117420220264E-03  0.0000000000000E+00
   543  5.4200000000000E+00  2.3783325640311E-03  2.3784698573996E-03  0.0000000000000E+00
   544  5.4300000000000E+00  2.3455346802472E-03  2.3456696454930E-03  0.0000000000000E+00
   545  5.4400000000000E+00  2.3132017286668E-03  2.3133344067949E-03  0.0000000000000E+00
   546  5.4500000000000E+00  2.2813268398221E-03  2.2814572710840E-03  0.0000000000000E+00
   547  5.4600000000000E+00  2.2499032516853E-03  2.2500314755939E-03  0.0000000000000E+00
   548  5.4700000000000E+00  2.2189243078679E-03  2.2190503632115E-03  0.0000000000000E+00
   549  5.4800000000000E+00  2.1883834558533E-03  2.1885073807097E-03  0.0000000000000E+00
   550  5.4900000000000E+00  2.1582742452589E-03  2.1583960770087E-03  0.0000000000000E+00
   551  5.5000000000000E+00  2.1285903261307E-03  2.1287101014711E-03  0.0000000000000E+00
   552  5.5100000000000E+00  2.0993254472695E-03  2.0994432022269E-03  0.0000000000000E+00
   553  5.5200000000000E+00  2.0704734545859E-03  2.0705892245291E-03  0.0000000000000E+00
   554  5.5300000000000E+00  2.0420282894848E-03  2.0421421091373E-03  0.0000000000000E+00
   555  5.5400000000000E+00  2.0139839872798E-03  2.0140958907323E-03  0.0000000000000E+00
   556  5.5500000000000E+00  1.9863346756357E-03  1.9864446963581E-03  0.0000000000000E+00
   557  5.5600000000000E+00  1.9590745730378E-03  1.9591827438910E-03  0.0000000000000E+00
   558  5.5700000000000E+00  1.9321979872896E-03  1.9323043405371E-03  0.0000000000000E+00
   559  5.5800000000000E+00  1.9056993140378E-03  1.9058038813569E-03  0.0000000000000E+00
   560  5.5900000000000E+00  1.8795730353214E-03  1.8796758478148E-03  0.0000000000000E+00
   561  5.6000000000000E+00  1.8538137181486E-03  1.8539148063546E-03  0.0000000000000E+00
   562  5.6100000000000E+00  1.8284160130981E-03  1.8285154070022E-03  0.0000000000000E+00
   563  5.6200000000000E+00  1.8033746529458E-03  1.8034723819901E-03  0.0000000000000E+00
   564  5.6300000000000E+00  1.7786844513143E-03  1.7787805444087E-03  0.0000000000000E+00
   565  5.6400000000000E+00  1.7543403013478E-03  1.7544347868797E-03  0.0000000000000E+00
   566  5.6500000000000E+00  1.7303371744105E-03  1.7304300802544E-03  0.0000000000000E+00
   567  5.6600000000000E+00  1.7066701188062E-03  1.7067614723339E-03  0.0000000000000E+00
   568  5.6700000000000E+00  1.6833342585217E-03  1.6834240866115E-03  0.0000000000000E+00
   569  5.6800000000000E+00  1.6603247919930E-03  1.6604131210390E-03  0.0000000000000E+00
   570  5.6900000000000E+00  1.6376369908915E-03  1.6377238468125E-03  0.0000000000000E+00
   571  5.7000000000000E+00  1.6152661989316E-03  1.6153516071805E-03  0.0000000000000E+00
   572  5.7100000000000E+00  1.5932078307010E-03  1.5932918162733E-03  0.0000000000000E+00
   573  5.7200000000000E+00  1.5714573705099E-03  1.5715399579523E-03  0.0000000000000E+00
   574  5.7300000000000E+00  1.5500103712599E-03  1.5500915846785E-03  0.0000000000000E+00
   575  5.7400000000000E+00  1.5288624533335E-03  1.5289423164026E-03  0.0000000000000E+00
   576  5.7500000000000E+00  1.5080093035038E-03  1.5080878394733E-03  0.0000000000000E+00
   577  5.7600000000000E+00  1.4874466738606E-03  1.4875239055645E-03  0.0000000000000E+00
   578  5.7700000000000E+00  1.4671703807572E-03  1.4672463306211E-03  0.0000000000000E+00
   579  5.7800000000000E+00  1.4471763037752E-03  1.4472509938239E-03  0.0000000000000E+00
   580  5.7900000000000E+00  1.4274603847066E-03  1.4275338365718E-03  0.0000000000000E+00
   581  5.8000000000000E+00  1.4080186265535E-03  1.4080908614808E-03  0.0000000000000E+00
   582  5.8100000000000E+00  1.3888470925457E-03  1.3889181314020E-03  0.0000000000000E+00
   583  5.8200000000000E+00  1.3699419051751E-03  1.3700117684557E-03  0.0000000000000E+00
   584  5.8300000000000E+00  1.3512992452460E-03  1.3513679530812E-03  0.0000000000000E+00
   585  5.8400000000000E+00  1.3329153509422E-03  1.3329829231044E-03  0.0000000000000E+00
   586  5.8500000000000E+00  1.3147865169109E-03  1.3148529728211E-03  0.0000000000000E+00
   587  5.8600000000000E+00  1.2969090933609E-03  1.2969744520953E-03  0.0000000000000E+00
   588  5.8700000000000E+00  1.2792794851772E-03  1.2793437654734E-03  0.0000000000000E+00
   589  5.8800000000000E+00  1.2618941510503E-03  1.2619573713136E-03  0.0000000000000E+00
   590  5.8900000000000E+00  1.2447496026208E-03  1.2448117809306E-03  0.0000000000000E+00
   591  5.9000000000000E+00  1.2278424036382E-03  1.2279035577537E-03  0.0000000000000E+00
   592  5.9100000000000E+00  1.2111691691339E-03  1.2112293165003E-03  0.0000000000000E+00
   593  5.9200000000000E+00  1.1947265646092E-03  1.1947857223631E-03  0.0000000000000E+00
   594  5.9300000000000E+00  1.1785113052360E-03  1.1785694902116E-03  0.0000000000000E+00
   595  5.9400000000000E+00  1.1625201550715E-03  1.1625773838056E-03  0.0000000000000E+00
   596  5.9500000000000E+00  1.1467499262861E-03  1.1468062150240E-03  0.0000000000000E+00
   597  5.9600000000000E+00  1.1311974784053E-03  1.1312528431059E-03  0.0000000000000E+00
   598  5.9700000000000E+00  1.1158597175627E-03  1.1159141739040E-03  0.0000000000000E+00
   599  5.9800000000000E+00  1.1007335957668E-03  1.1007871591508E-03  0.0000000000000E+00
   600  5.9900000000000E+00  1.0858161101801E-03  1.0858687957380E-03  0.0000000000000E+00
<INPUT>
#
#ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
#scalar-relativistic version 4.0.1 06/04/2019
#
#While it is not required under the terms of the GNU GPL, it is
#suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
#in any publication utilizing these pseudopotentials.
#
# ATOM AND REFERENCE CONFIGURATION
# atsym  z   nc   nv     iexc    psfile
  Ag 47.00    6    4       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
    2    1    6.00
    3    0    2.00
    3    1    6.00
    3    2   10.00
    4    0    2.00
    4    1    6.00
    4    2   10.00
    5    0    1.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.90485  -3.49309    4    7   5.57432
    1   2.21248  -2.15231    4    8   6.41138
    2   2.45154  -0.27354    4    9   6.54936
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.41723      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   3.33121
    1    2   2.12524
    2    2   1.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   7.00000   1.24000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    6.00    0.01
#
# TEST CONFIGURATIONS
# ncnf
    0
# nvcnf
#   n    l    f
</INPUT>

<INFO>
# *********************************************************************************************** #
# Copyright (c) 2022 Material Physics & Mechanics Group, Georgia Tech                             #
# Distributed under GNU General Public License 3 (GPL) (https://www.gnu.org/licenses/)            #
# Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, and Phanish Suryanarayana.             #
# "Soft and transferable pseudopotentials from multi-objective optimization."                     #
# Computer Physics Communications 283 (2023): 108594. (https://doi.org/10.1016/j.cpc.2022.108594) #
# Acknowledgment: U.S. Department of Energy (DOE), Office of Science (SC): DE-SC0019410           #
# *********************************************************************************************** #
# Ecut (1e-3 Ha/atom accuracy):  18 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  22 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.36 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.33 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>