74_W_14_2.3_2.5_pbe_n_v1.0.psp8

W     ONCVPSP-4.0.1  r_core=   2.35088   2.49581   2.51078   2.55625
     74.0000     14.0000      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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   4
     1  0.0000000000000E+00 -1.3344803995311E+01
     2  1.0000000000000E-02 -1.3344620238998E+01
     3  2.0000000000000E-02 -1.3344063789571E+01
     4  3.0000000000000E-02 -1.3343136008452E+01
     5  4.0000000000000E-02 -1.3341836350153E+01
     6  5.0000000000000E-02 -1.3340164053045E+01
     7  6.0000000000000E-02 -1.3338118141940E+01
     8  7.0000000000000E-02 -1.3335697431178E+01
     9  8.0000000000000E-02 -1.3332900528360E+01
    10  9.0000000000000E-02 -1.3329725838723E+01
    11  1.0000000000000E-01 -1.3326171570163E+01
    12  1.1000000000000E-01 -1.3322235738877E+01
    13  1.2000000000000E-01 -1.3317916175625E+01
    14  1.3000000000000E-01 -1.3313210532574E+01
    15  1.4000000000000E-01 -1.3308116290730E+01
    16  1.5000000000000E-01 -1.3302630767920E+01
    17  1.6000000000000E-01 -1.3296751127303E+01
    18  1.7000000000000E-01 -1.3290474386402E+01
    19  1.8000000000000E-01 -1.3283797426614E+01
    20  1.9000000000000E-01 -1.3276717003181E+01
    21  2.0000000000000E-01 -1.3269229755598E+01
    22  2.1000000000000E-01 -1.3261332218421E+01
    23  2.2000000000000E-01 -1.3253020832454E+01
    24  2.3000000000000E-01 -1.3244291956279E+01
    25  2.4000000000000E-01 -1.3235141878105E+01
    26  2.5000000000000E-01 -1.3225566827895E+01
    27  2.6000000000000E-01 -1.3215562989745E+01
    28  2.7000000000000E-01 -1.3205126514483E+01
    29  2.8000000000000E-01 -1.3194253532445E+01
    30  2.9000000000000E-01 -1.3182940166408E+01
    31  3.0000000000000E-01 -1.3171182544640E+01
    32  3.1000000000000E-01 -1.3158976814015E+01
    33  3.2000000000000E-01 -1.3146319153202E+01
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   576  5.7500000000000E+00  3.1049963579331E-03  3.1051822012052E-03  1.3606717226732E-08
   577  5.7600000000000E+00  3.0601608344782E-03  3.0603440022285E-03  1.3127800463448E-08
   578  5.7700000000000E+00  3.0159734574121E-03  3.0161539889506E-03  1.2665859948233E-08
   579  5.7800000000000E+00  2.9724248237482E-03  2.9726027577901E-03  1.2220289209678E-08
   580  5.7900000000000E+00  2.9295056675376E-03  2.9296810422123E-03  1.1790503629467E-08
   581  5.8000000000000E+00  2.8872068578762E-03  2.8873797107368E-03  1.1375939643992E-08
   582  5.8100000000000E+00  2.8455193969414E-03  2.8456897649737E-03  1.0976053978849E-08
   583  5.8200000000000E+00  2.8044344180556E-03  2.8046023376871E-03  1.0590322916493E-08
   584  5.8300000000000E+00  2.7639431837778E-03  2.7641086908863E-03  1.0218241581801E-08
   585  5.8400000000000E+00  2.7240370840208E-03  2.7242002139433E-03  9.8593232577984E-09
   586  5.8500000000000E+00  2.6847076341969E-03  2.6848684217377E-03  9.5130987281328E-09
   587  5.8600000000000E+00  2.6459464733888E-03  2.6461049528283E-03  9.1791156433829E-09
   588  5.8700000000000E+00  2.6077453625466E-03  2.6079015676492E-03  8.8569379065660E-09
   589  5.8800000000000E+00  2.5700961827107E-03  2.5702501467328E-03  8.5461450836479E-09
   590  5.8900000000000E+00  2.5329909332598E-03  2.5331426889581E-03  8.2463318399945E-09
   591  5.9000000000000E+00  2.4964217301843E-03  2.4965713098234E-03  7.9571073897775E-09
   592  5.9100000000000E+00  2.4603808043838E-03  2.4605282397438E-03  7.6780949690970E-09
   593  5.9200000000000E+00  2.4248604999891E-03  2.4250058223733E-03  7.4089313294371E-09
   594  5.9300000000000E+00  2.3898532727088E-03  2.3899965129513E-03  7.1492662497910E-09
   595  5.9400000000000E+00  2.3553516881989E-03  2.3554928766714E-03  6.8987620629599E-09
   596  5.9500000000000E+00  2.3213484204556E-03  2.3214875870751E-03  6.6570932014213E-09
   597  5.9600000000000E+00  2.2878362502324E-03  2.2879734244679E-03  6.4239457629985E-09
   598  5.9700000000000E+00  2.2548080634786E-03  2.2549432743584E-03  6.1990170868548E-09
   599  5.9800000000000E+00  2.2222568498011E-03  2.2223901259194E-03  5.9820153471890E-09
   600  5.9900000000000E+00  2.1901757009478E-03  2.1903070704715E-03  5.7726591624073E-09
<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
  W 74.00   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    4.00
    6    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    3
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.33950  -2.90589    4    7   6.16651
    1   2.49079  -1.58765    4    8   6.10561
    2   2.50531  -0.16465    4    8   5.61095
    3   2.54229   0.15000    4    9   7.43466
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   2.33950      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.69594
    1    2   1.53763
    2    2   1.00000
    3    2   2.80000
#
# 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):  13 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  16 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.42 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>