51_Sb_15_2.3_2.4_pbe_n_v1.0.psp8

Sb    ONCVPSP-4.0.1  r_core=   2.41107   2.31219   2.31219   2.31219
     51.0000     15.0000      210707    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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   4
     1  0.0000000000000E+00 -1.3229062532952E+01
     2  1.0000000000000E-02 -1.3229066715135E+01
     3  2.0000000000000E-02 -1.3229075546889E+01
     4  3.0000000000000E-02 -1.3229090073220E+01
     5  4.0000000000000E-02 -1.3229109994976E+01
     6  5.0000000000000E-02 -1.3229134871664E+01
     7  6.0000000000000E-02 -1.3229164100834E+01
     8  7.0000000000000E-02 -1.3229196892013E+01
     9  8.0000000000000E-02 -1.3229232235861E+01
    10  9.0000000000000E-02 -1.3229268869125E+01
    11  1.0000000000000E-01 -1.3229305236050E+01
    12  1.1000000000000E-01 -1.3229339446979E+01
    13  1.2000000000000E-01 -1.3229369234859E+01
    14  1.3000000000000E-01 -1.3229391910477E+01
    15  1.4000000000000E-01 -1.3229404317205E+01
    16  1.5000000000000E-01 -1.3229402786051E+01
    17  1.6000000000000E-01 -1.3229383091821E+01
    18  1.7000000000000E-01 -1.3229340411125E+01
    19  1.8000000000000E-01 -1.3229269282987E+01
    20  1.9000000000000E-01 -1.3229163572694E+01
    21  2.0000000000000E-01 -1.3229016439545E+01
    22  2.1000000000000E-01 -1.3228820309041E+01
    23  2.2000000000000E-01 -1.3228566850002E+01
    24  2.3000000000000E-01 -1.3228246957053E+01
    25  2.4000000000000E-01 -1.3227850738789E+01
    26  2.5000000000000E-01 -1.3227367511913E+01
    27  2.6000000000000E-01 -1.3226785801509E+01
    28  2.7000000000000E-01 -1.3226093347537E+01
    29  2.8000000000000E-01 -1.3225277117593E+01
    30  2.9000000000000E-01 -1.3224323325828E+01
    31  3.0000000000000E-01 -1.3223217457893E+01
    32  3.1000000000000E-01 -1.3221944301668E+01
    33  3.2000000000000E-01 -1.3220487983449E+01
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   580  5.7900000000000E+00  2.5402107146627E-03  2.5403219894694E-03  4.0168226727235E-12
   581  5.8000000000000E+00  2.5037464903876E-03  2.5038561618863E-03  3.7911553041134E-12
   582  5.8100000000000E+00  2.4678141422794E-03  2.4679222342760E-03  3.5781834967520E-12
   583  5.8200000000000E+00  2.4324057329847E-03  2.4325122689177E-03  3.3771919649354E-12
   584  5.8300000000000E+00  2.3975134471199E-03  2.3976184500665E-03  3.1875058252418E-12
   585  5.8400000000000E+00  2.3631295893382E-03  2.3632330820198E-03  3.0084882521012E-12
   586  5.8500000000000E+00  2.3292465824281E-03  2.3293485872165E-03  2.8395383325913E-12
   587  5.8600000000000E+00  2.2958569654440E-03  2.2959575043667E-03  2.6800890679205E-12
   588  5.8700000000000E+00  2.2629533918664E-03  2.2630524866121E-03  2.5296054466406E-12
   589  5.8800000000000E+00  2.2305286277903E-03  2.2306262997149E-03  2.3875826202437E-12
   590  5.8900000000000E+00  2.1985755501453E-03  2.1986718202765E-03  2.2535441986759E-12
   591  5.9000000000000E+00  2.1670871449436E-03  2.1671820339866E-03  2.1270406841063E-12
   592  5.9100000000000E+00  2.1360565055553E-03  2.1361500338982E-03  2.0076479086696E-12
   593  5.9200000000000E+00  2.1054768310130E-03  2.1055690187313E-03  1.8949656083633E-12
   594  5.9300000000000E+00  2.0753414243431E-03  2.0754322912053E-03  1.7886160935065E-12
   595  5.9400000000000E+00  2.0456436909248E-03  2.0457332563968E-03  1.6882429694334E-12
   596  5.9500000000000E+00  2.0163771368744E-03  2.0164654201247E-03  1.5935099209399E-12
   597  5.9600000000000E+00  1.9875353674563E-03  1.9876223873607E-03  1.5040995751584E-12
   598  5.9700000000000E+00  1.9591120855211E-03  1.9591978606673E-03  1.4197124670169E-12
   599  5.9800000000000E+00  1.9311010899667E-03  1.9311856386590E-03  1.3400659945431E-12
   600  5.9900000000000E+00  1.9034962742252E-03  1.9035796144887E-03  1.2648934718520E-12
<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
  Sb 51.00    8    3       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    2.00
    5    1    3.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    3
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.40000   0.00000    4    9   4.10000
    1   2.30000   0.00000    4    8   6.50000
    2   2.30000   0.00000    4    8   7.20000
    3   2.30000   0.50000    4    8   7.20000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   2.30000      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.50000
    1    2   2.50000
    2    2   2.50000
    3    2   2.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.41000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -10.00    5.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    6.0000    0.0100
#
# 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):  22 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  24 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.33 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.31 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>