73_Ta_13_2.2_2.6_pbe_n_v1.0.psp8

Ta    ONCVPSP-4.0.1  r_core=   2.32674   2.19164   2.36887   2.65402
     73.0000     13.0000      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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     1  0.0000000000000E+00 -1.3132581125425E+01
     2  1.0000000000000E-02 -1.3132373046051E+01
     3  2.0000000000000E-02 -1.3131741339397E+01
     4  3.0000000000000E-02 -1.3130688165038E+01
     5  4.0000000000000E-02 -1.3129213031281E+01
     6  5.0000000000000E-02 -1.3127315251467E+01
     7  6.0000000000000E-02 -1.3124993946464E+01
     8  7.0000000000000E-02 -1.3122248047541E+01
     9  8.0000000000000E-02 -1.3119076299820E+01
    10  9.0000000000000E-02 -1.3115477266339E+01
    11  1.0000000000000E-01 -1.3111449332700E+01
    12  1.1000000000000E-01 -1.3106990712303E+01
    13  1.2000000000000E-01 -1.3102099452152E+01
    14  1.3000000000000E-01 -1.3096773439214E+01
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    17  1.6000000000000E-01 -1.3078163501386E+01
    18  1.7000000000000E-01 -1.3071074398653E+01
    19  1.8000000000000E-01 -1.3063537836875E+01
    20  1.9000000000000E-01 -1.3055550905352E+01
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    24  2.3000000000000E-01 -1.3019037932517E+01
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    27  2.6000000000000E-01 -1.2986768856274E+01
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    53  5.2000000000000E-01 -1.2518597945093E+01
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    55  5.4000000000000E-01 -1.2467913339952E+01
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    60  5.9000000000000E-01 -1.2331910626381E+01
    61  6.0000000000000E-01 -1.2303129694655E+01
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   587  5.8600000000000E+00  3.2851300855964E-03  3.2852943292815E-03  7.1464693982656E-08
   588  5.8700000000000E+00  3.2399827252194E-03  3.2401447581960E-03  6.9246034864188E-08
   589  5.8800000000000E+00  3.1954557767772E-03  3.1956156294903E-03  6.7096883530796E-08
   590  5.8900000000000E+00  3.1515407138730E-03  3.1516984163345E-03  6.5015040414663E-08
   591  5.9000000000000E+00  3.1082291268269E-03  3.1083847086224E-03  6.2998376325674E-08
   592  5.9100000000000E+00  3.0655127211138E-03  3.0656662114085E-03  6.1044830161544E-08
   593  5.9200000000000E+00  3.0233833158194E-03  3.0235347433646E-03  5.9152406705402E-08
   594  5.9300000000000E+00  2.9818328421165E-03  2.9819822352558E-03  5.7319174498631E-08
   595  5.9400000000000E+00  2.9408533417595E-03  2.9410007284344E-03  5.5543263782678E-08
   596  5.9500000000000E+00  2.9004369655980E-03  2.9005823733544E-03  5.3822864498258E-08
   597  5.9600000000000E+00  2.8605759721092E-03  2.8607194281027E-03  5.2156224356347E-08
   598  5.9700000000000E+00  2.8212627259484E-03  2.8214042569506E-03  5.0541646982813E-08
   599  5.9800000000000E+00  2.7824896965181E-03  2.7826293289218E-03  4.8977490105542E-08
   600  5.9900000000000E+00  2.7442494565550E-03  2.7443872163800E-03  4.7462163808654E-08
<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
  Ta 73.00   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    3.00
    6    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    3
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.32312  -2.68280    4    8   6.83824
    1   2.18487  -1.44789    4    8   7.82281
    2   2.35728  -0.13196    4    8   6.03479
    3   2.63845   0.50000    4    7   6.94854
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   2.18469      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.48279
    1    2   1.50000
    2    2   1.80000
    3    2   2.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.36000
#
# 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):  17 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.41 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.37 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>