76_Os_16_2.7_2.7_pbe_n_v1.0.psp8

Os    ONCVPSP-4.0.1  r_core=   2.69026   2.70640   2.70640   2.69026
     76.0000     16.0000      210704    zatom,zion,pspd
     8      11   3     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  5.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     2     0    nproj
     1     1           extension_switch
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   543  5.4200000000000E+00  3.4995734424604E-03  3.4997633790864E-03  1.2678439400240E-09
   544  5.4300000000000E+00  3.4453342892040E-03  3.4455211349391E-03  1.2134468295079E-09
   545  5.4400000000000E+00  3.3919407086469E-03  3.3921245155655E-03  1.1613956744188E-09
   546  5.4500000000000E+00  3.3393793793916E-03  3.3395601986519E-03  1.1115887340002E-09
   547  5.4600000000000E+00  3.2876371931800E-03  3.2878150750415E-03  1.0639287061672E-09
   548  5.4700000000000E+00  3.2367012514288E-03  3.2368762452686E-03  1.0183225341407E-09
   549  5.4800000000000E+00  3.1865588618191E-03  3.1867310161483E-03  9.7468121846669E-10
   550  5.4900000000000E+00  3.1371975349427E-03  3.1373668974224E-03  9.3291963900962E-10
   551  5.5000000000000E+00  3.0886049810048E-03  3.0887715984617E-03  8.9295638591431E-10
   552  5.5100000000000E+00  3.0407691065782E-03  3.0409330250199E-03  8.5471359601637E-10
   553  5.5200000000000E+00  2.9936780114117E-03  2.9938392760419E-03  8.1811679706321E-10
   554  5.5300000000000E+00  2.9473199852915E-03  2.9474786405248E-03  7.8309475971586E-10
   555  5.5400000000000E+00  2.9016835049535E-03  2.9018395944296E-03  7.4957935549314E-10
   556  5.5500000000000E+00  2.8567572310452E-03  2.8569107976436E-03  7.1750542029492E-10
   557  5.5600000000000E+00  2.8125300051389E-03  2.8126810909922E-03  6.8681062475482E-10
   558  5.5700000000000E+00  2.7689908467937E-03  2.7691394933018E-03  6.5743535094826E-10
   559  5.5800000000000E+00  2.7261289506646E-03  2.7262751985076E-03  6.2932257275903E-10
   560  5.5900000000000E+00  2.6839336836594E-03  2.6840775728113E-03  6.0241774248632E-10
   561  5.6000000000000E+00  2.6423945821440E-03  2.6425361518852E-03  5.7666868336894E-10
   562  5.6100000000000E+00  2.6015013491911E-03  2.6016406381211E-03  5.5202548515055E-10
   563  5.6200000000000E+00  2.5612438518752E-03  2.5613808979249E-03  5.2844040492005E-10
   564  5.6300000000000E+00  2.5216121186121E-03  2.5217469590562E-03  5.0586777284961E-10
   565  5.6400000000000E+00  2.4825963365426E-03  2.4827290080112E-03  4.8426390163972E-10
   566  5.6500000000000E+00  2.4441868489576E-03  2.4443173874482E-03  4.6358699951329E-10
   567  5.6600000000000E+00  2.4063741527667E-03  2.4065025936555E-03  4.4379708752215E-10
   568  5.6700000000000E+00  2.3691488960092E-03  2.3692752740623E-03  4.2485592107967E-10
   569  5.6800000000000E+00  2.3325018754038E-03  2.3326262247884E-03  4.0672691355490E-10
   570  5.6900000000000E+00  2.2964240339400E-03  2.2965463882349E-03  3.8937506398235E-10
   571  5.7000000000000E+00  2.2609064585095E-03  2.2610268507162E-03  3.7276688847270E-10
   572  5.7100000000000E+00  2.2259403775758E-03  2.2260588401284E-03  3.5687035370090E-10
   573  5.7200000000000E+00  2.1915171588817E-03  2.1916337236575E-03  3.4165481355304E-10
   574  5.7300000000000E+00  2.1576283071953E-03  2.1577430055248E-03  3.2709094887320E-10
   575  5.7400000000000E+00  2.1242654620939E-03  2.1243783247702E-03  3.1315070990915E-10
   576  5.7500000000000E+00  2.0914203957819E-03  2.0915314530708E-03  2.9980726062079E-10
   577  5.7600000000000E+00  2.0590850109463E-03  2.0591942925956E-03  2.8703492581963E-10
   578  5.7700000000000E+00  2.0272513386483E-03  2.0273588738971E-03  2.7480914120838E-10
   579  5.7800000000000E+00  1.9959115362474E-03  1.9960173538351E-03  2.6310640455688E-10
   580  5.7900000000000E+00  1.9650578853607E-03  1.9651620135361E-03  2.5190422951292E-10
   581  5.8000000000000E+00  1.9346827898565E-03  1.9347852563865E-03  2.4118110163629E-10
   582  5.8100000000000E+00  1.9047787738801E-03  1.9048796060583E-03  2.3091643620993E-10
   583  5.8200000000000E+00  1.8753384799120E-03  1.8754377045670E-03  2.2109053758854E-10
   584  5.8300000000000E+00  1.8463546668575E-03  1.8464523103615E-03  2.1168456052943E-10
   585  5.8400000000000E+00  1.8178202081704E-03  1.8179162964470E-03  2.0268047374107E-10
   586  5.8500000000000E+00  1.7897280900041E-03  1.7898226485364E-03  1.9406102407796E-10
   587  5.8600000000000E+00  1.7620714093950E-03  1.7621644632334E-03  1.8580970281140E-10
   588  5.8700000000000E+00  1.7348433724755E-03  1.7349349462456E-03  1.7791071349638E-10
   589  5.8800000000000E+00  1.7080372927168E-03  1.7081274106266E-03  1.7034894108405E-10
   590  5.8900000000000E+00  1.6816465891997E-03  1.6817352750469E-03  1.6310992219237E-10
   591  5.9000000000000E+00  1.6556647849135E-03  1.6557520620933E-03  1.5617981681115E-10
   592  5.9100000000000E+00  1.6300855050855E-03  1.6301713965974E-03  1.4954538165855E-10
   593  5.9200000000000E+00  1.6049024755347E-03  1.6049870039894E-03  1.4319394395953E-10
   594  5.9300000000000E+00  1.5801095210541E-03  1.5801927086803E-03  1.3711337676941E-10
   595  5.9400000000000E+00  1.5557005638196E-03  1.5557824324710E-03  1.3129207544613E-10
   596  5.9500000000000E+00  1.5316696218254E-03  1.5317501929873E-03  1.2571893507756E-10
   597  5.9600000000000E+00  1.5080108073439E-03  1.5080901021394E-03  1.2038332869015E-10
   598  5.9700000000000E+00  1.4847183254115E-03  1.4847963646080E-03  1.1527508654360E-10
   599  5.9800000000000E+00  1.4617864723400E-03  1.4618632763557E-03  1.1038447661433E-10
   600  5.9900000000000E+00  1.4392096342518E-03  1.4392852231613E-03  1.0570218543011E-10
<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
  Os 76.00   10    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
    4    3   14.00
    5    0    2.00
    5    1    6.00
    5    2    6.00
    6    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    3
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.67769  -3.36448    4    7   7.34525
    1   2.70000  -1.86833    4    9   6.00628
    2   2.70000  -0.22987    4    9   5.91387
    3   2.67614   0.50000    4    7   5.93230
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   2.67614      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   3.13859
    1    2   2.00000
    2    2   1.50000
    3    2   3.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.40000
#
# 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):  14 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  16 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.41 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.38 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>