14_Si_4_1.9_1.9_pbe_n_v1.0.psp8

Si    ONCVPSP-4.0.1  r_core=   1.91059   1.91059   1.91059
     14.0000      4.0000      220721    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  4.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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     1  0.0000000000000E+00 -4.2721692850023E-10  1.0730621391453E-09
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   4
     1  0.0000000000000E+00 -4.8171063275649E+00
     2  1.0000000000000E-02 -4.8169506567484E+00
     3  2.0000000000000E-02 -4.8164834569485E+00
     4  3.0000000000000E-02 -4.8157050773511E+00
     5  4.0000000000000E-02 -4.8146159471000E+00
     6  5.0000000000000E-02 -4.8132166642209E+00
     7  6.0000000000000E-02 -4.8115079930267E+00
     8  7.0000000000000E-02 -4.8094908608032E+00
     9  8.0000000000000E-02 -4.8071663538282E+00
    10  9.0000000000000E-02 -4.8045357128280E+00
    11  1.0000000000000E-01 -4.8016003278726E+00
    12  1.1000000000000E-01 -4.7983617328340E+00
    13  1.2000000000000E-01 -4.7948215994297E+00
    14  1.3000000000000E-01 -4.7909817309537E+00
    15  1.4000000000000E-01 -4.7868440557372E+00
    16  1.5000000000000E-01 -4.7824106204379E+00
    17  1.6000000000000E-01 -4.7776835831739E+00
    18  1.7000000000000E-01 -4.7726652066264E+00
    19  1.8000000000000E-01 -4.7673578511031E+00
    20  1.9000000000000E-01 -4.7617639676484E+00
    21  2.0000000000000E-01 -4.7558860912328E+00
    22  2.1000000000000E-01 -4.7497268340468E+00
    23  2.2000000000000E-01 -4.7432888789276E+00
    24  2.3000000000000E-01 -4.7365749729575E+00
    25  2.4000000000000E-01 -4.7295879212138E+00
    26  2.5000000000000E-01 -4.7223305806945E+00
    27  2.6000000000000E-01 -4.7148058544203E+00
    28  2.7000000000000E-01 -4.7070166857127E+00
    29  2.8000000000000E-01 -4.6989660526115E+00
    30  2.9000000000000E-01 -4.6906569624632E+00
    31  3.0000000000000E-01 -4.6820924466311E+00
    32  3.1000000000000E-01 -4.6732755553328E+00
    33  3.2000000000000E-01 -4.6642093525805E+00
    34  3.3000000000000E-01 -4.6548969112305E+00
    35  3.4000000000000E-01 -4.6453413081007E+00
    36  3.5000000000000E-01 -4.6355456191956E+00
    37  3.6000000000000E-01 -4.6255129149669E+00
    38  3.7000000000000E-01 -4.6152462557046E+00
    39  3.8000000000000E-01 -4.6047486869663E+00
    40  3.9000000000000E-01 -4.5940232351323E+00
    41  4.0000000000000E-01 -4.5830729030553E+00
    42  4.1000000000000E-01 -4.5719006658502E+00
    43  4.2000000000000E-01 -4.5605094668343E+00
    44  4.3000000000000E-01 -4.5489022136652E+00
    45  4.4000000000000E-01 -4.5370817746880E+00
    46  4.5000000000000E-01 -4.5250509755414E+00
    47  4.6000000000000E-01 -4.5128125960625E+00
    48  4.7000000000000E-01 -4.5003693675291E+00
    49  4.8000000000000E-01 -4.4877239702699E+00
    50  4.9000000000000E-01 -4.4748790317103E+00
    51  5.0000000000000E-01 -4.4618371248700E+00
    52  5.1000000000000E-01 -4.4486007673496E+00
    53  5.2000000000000E-01 -4.4351724208743E+00
    54  5.3000000000000E-01 -4.4215544913826E+00
    55  5.4000000000000E-01 -4.4077493297204E+00
    56  5.5000000000000E-01 -4.3937592329586E+00
    57  5.6000000000000E-01 -4.3795864463179E+00
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   557  5.5600000000000E+00  2.5010144680495E-03  2.5010684927745E-03  4.8951377000356E-12
   558  5.5700000000000E+00  2.4662205878697E-03  2.4662737815171E-03  4.6272047774811E-12
   559  5.5800000000000E+00  2.4319249256619E-03  2.4319773013584E-03  4.3739616011415E-12
   560  5.5900000000000E+00  2.3981200851098E-03  2.3981716557692E-03  4.1346013523541E-12
   561  5.6000000000000E+00  2.3647987842383E-03  2.3648495625655E-03  3.9083616181512E-12
   562  5.6100000000000E+00  2.3319538535777E-03  2.3320038520719E-03  3.6945219219015E-12
   563  5.6200000000000E+00  2.2995782343582E-03  2.2996274653165E-03  3.4924014184007E-12
   564  5.6300000000000E+00  2.2676649767347E-03  2.2677134522553E-03  3.3013567372313E-12
   565  5.6400000000000E+00  2.2362072380395E-03  2.2362549700252E-03  3.1207798826739E-12
   566  5.6500000000000E+00  2.2051982810645E-03  2.2052452812256E-03  2.9500962843874E-12
   567  5.6600000000000E+00  2.1746314723724E-03  2.1746777522301E-03  2.7887629880947E-12
   568  5.6700000000000E+00  2.1445002806338E-03  2.1445458515236E-03  2.6362668873010E-12
   569  5.6800000000000E+00  2.1147982749935E-03  2.1148431480676E-03  2.4921230758218E-12
   570  5.6900000000000E+00  2.0855191234624E-03  2.0855633096933E-03  2.3558733077718E-12
   571  5.7000000000000E+00  2.0566565913371E-03  2.0567001015204E-03  2.2270845328486E-12
   572  5.7100000000000E+00  2.0282045396441E-03  2.0282473844014E-03  2.1053474929766E-12
   573  5.7200000000000E+00  2.0001569236102E-03  2.0001991133921E-03  1.9902754115185E-12
   574  5.7300000000000E+00  1.9725077911591E-03  1.9725493362476E-03  1.8815027818523E-12
   575  5.7400000000000E+00  1.9452512814306E-03  1.9452921919425E-03  1.7786841697426E-12
   576  5.7500000000000E+00  1.9183816233257E-03  1.9184219092148E-03  1.6814931107315E-12
   577  5.7600000000000E+00  1.8918931340754E-03  1.8919328051355E-03  1.5896210799994E-12
   578  5.7700000000000E+00  1.8657802178328E-03  1.8658192837004E-03  1.5027764992813E-12
   579  5.7800000000000E+00  1.8400373642883E-03  1.8400758344447E-03  1.4206837972782E-12
   580  5.7900000000000E+00  1.8146591473072E-03  1.8146970310815E-03  1.3430825309878E-12
   581  5.8000000000000E+00  1.7896402235910E-03  1.7896775301627E-03  1.2697265675321E-12
   582  5.8100000000000E+00  1.7649753313594E-03  1.7650120697604E-03  1.2003832804362E-12
   583  5.8200000000000E+00  1.7406592890538E-03  1.7406954681713E-03  1.1348328075652E-12
   584  5.8300000000000E+00  1.7166869940636E-03  1.7167226226421E-03  1.0728673612955E-12
   585  5.8400000000000E+00  1.6930534214723E-03  1.6930885081161E-03  1.0142905571335E-12
   586  5.8500000000000E+00  1.6697536228236E-03  1.6697881759992E-03  9.5891678340879E-13
   587  5.8600000000000E+00  1.6467827249091E-03  1.6468167529474E-03  9.0657061101344E-13
   588  5.8700000000000E+00  1.6241359285757E-03  1.6241694396740E-03  8.5708624256055E-13
   589  5.8800000000000E+00  1.6018085075513E-03  1.6018415097759E-03  8.1030697172904E-13
   590  5.8900000000000E+00  1.5797958072909E-03  1.5798283085791E-03  7.6608468408298E-13
   591  5.9000000000000E+00  1.5580932438419E-03  1.5581252520037E-03  7.2427939381750E-13
   592  5.9100000000000E+00  1.5366963027269E-03  1.5367278254478E-03  6.8475879163455E-13
   593  5.9200000000000E+00  1.5156005378452E-03  1.5156315826877E-03  6.4739782078411E-13
   594  5.9300000000000E+00  1.4948015703928E-03  1.4948321447986E-03  6.1207827950468E-13
   595  5.9400000000000E+00  1.4742950878000E-03  1.4743251990920E-03  5.7868845180009E-13
   596  5.9500000000000E+00  1.4540768426855E-03  1.4541064980697E-03  5.4712274257576E-13
   597  5.9600000000000E+00  1.4341426518284E-03  1.4341718583959E-03  5.1728134212064E-13
   598  5.9700000000000E+00  1.4144883951574E-03  1.4145171598860E-03  4.8906991389545E-13
   599  5.9800000000000E+00  1.3951100147554E-03  1.3951383445119E-03  4.6239929161116E-13
   600  5.9900000000000E+00  1.3760035138813E-03  1.3760314154229E-03  4.3718519311765E-13
<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
  Si 14.00    3    2       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
    2    1    6.00
    3    0    2.00
    3    1    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.90000   0.00000    4    9   4.85537
    1   1.90000   0.00000    4    7   7.50000
    2   1.90000   0.03000    4    8   7.10000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.64307      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.50000
    1    2   2.50000
    2    2   1.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   4.00000   1.30000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    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):   9 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  15 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.51 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.39 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>