30_Zn_20_1.9_2.3_pbe_n_v1.0.psp8

Zn    ONCVPSP-4.0.1  r_core=   2.25352   1.92892   2.09742
     30.0000     20.0000      220722    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  2.50000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   4
     1  0.0000000000000E+00 -2.4379978149515E+01
     2  1.0000000000000E-02 -2.4379650917130E+01
     3  2.0000000000000E-02 -2.4378726446864E+01
     4  3.0000000000000E-02 -2.4377190046335E+01
     5  4.0000000000000E-02 -2.4375047928767E+01
     6  5.0000000000000E-02 -2.4372308175195E+01
     7  6.0000000000000E-02 -2.4368980144478E+01
     8  7.0000000000000E-02 -2.4365073776611E+01
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   492  4.9100000000000E+00  4.1091889843233E-03  4.1093243218003E-03  0.0000000000000E+00
   493  4.9200000000000E+00  4.0465878573353E-03  4.0467209655452E-03  0.0000000000000E+00
   494  4.9300000000000E+00  3.9849464199480E-03  3.9850773384693E-03  0.0000000000000E+00
   495  4.9400000000000E+00  3.9242497923259E-03  3.9243785599725E-03  0.0000000000000E+00
   496  4.9500000000000E+00  3.8644833291087E-03  3.8646099839458E-03  0.0000000000000E+00
   497  4.9600000000000E+00  3.8056326156560E-03  3.8057571950156E-03  0.0000000000000E+00
   498  4.9700000000000E+00  3.7476834643517E-03  3.7478060048483E-03  0.0000000000000E+00
   499  4.9800000000000E+00  3.6906219109696E-03  3.6907424485150E-03  0.0000000000000E+00
   500  4.9900000000000E+00  3.6344342110963E-03  3.6345527809144E-03  0.0000000000000E+00
   501  5.0000000000000E+00  3.5791068366122E-03  3.5792234732531E-03  0.0000000000000E+00
   502  5.0100000000000E+00  3.5246264722294E-03  3.5247412095838E-03  0.0000000000000E+00
   503  5.0200000000000E+00  3.4709800120853E-03  3.4710928833980E-03  0.0000000000000E+00
   504  5.0300000000000E+00  3.4181545563910E-03  3.4182655942743E-03  0.0000000000000E+00
   505  5.0400000000000E+00  3.3661374081341E-03  3.3662466445808E-03  0.0000000000000E+00
   506  5.0500000000000E+00  3.3149160698349E-03  3.3150235362312E-03  0.0000000000000E+00
   507  5.0600000000000E+00  3.2644782403537E-03  3.2645839674920E-03  0.0000000000000E+00
   508  5.0700000000000E+00  3.2148118117517E-03  3.2149158298423E-03  0.0000000000000E+00
   509  5.0800000000000E+00  3.1659048662011E-03  3.1660072048845E-03  0.0000000000000E+00
   510  5.0900000000000E+00  3.1177456729450E-03  3.1178463613037E-03  0.0000000000000E+00
   511  5.1000000000000E+00  3.0703226853078E-03  3.0704217518773E-03  0.0000000000000E+00
   512  5.1100000000000E+00  3.0236245377524E-03  3.0237220105330E-03  0.0000000000000E+00
   513  5.1200000000000E+00  2.9776400429860E-03  2.9777359494532E-03  0.0000000000000E+00
   514  5.1300000000000E+00  2.9323581891119E-03  2.9324525562274E-03  0.0000000000000E+00
   515  5.1400000000000E+00  2.8877681368282E-03  2.8878609910504E-03  0.0000000000000E+00
   516  5.1500000000000E+00  2.8438592166709E-03  2.8439505839647E-03  0.0000000000000E+00
   517  5.1600000000000E+00  2.8006209263021E-03  2.8007108321496E-03  0.0000000000000E+00
   518  5.1700000000000E+00  2.7580429278424E-03  2.7581313972520E-03  0.0000000000000E+00
   519  5.1800000000000E+00  2.7161150452453E-03  2.7162021027617E-03  0.0000000000000E+00
   520  5.1900000000000E+00  2.6748272617151E-03  2.6749129314287E-03  0.0000000000000E+00
   521  5.2000000000000E+00  2.6341697171668E-03  2.6342540227224E-03  0.0000000000000E+00
   522  5.2100000000000E+00  2.5941327057255E-03  2.5942156703318E-03  0.0000000000000E+00
   523  5.2200000000000E+00  2.5547066732681E-03  2.5547883197062E-03  0.0000000000000E+00
   524  5.2300000000000E+00  2.5158822150042E-03  2.5159625656361E-03  0.0000000000000E+00
   525  5.2400000000000E+00  2.4776500730950E-03  2.4777291498723E-03  0.0000000000000E+00
   526  5.2500000000000E+00  2.4400011343126E-03  2.4400789587843E-03  0.0000000000000E+00
   527  5.2600000000000E+00  2.4029264277361E-03  2.4030030210569E-03  0.0000000000000E+00
   528  5.2700000000000E+00  2.3664171224849E-03  2.3664925054229E-03  0.0000000000000E+00
   529  5.2800000000000E+00  2.3304645254889E-03  2.3305387184335E-03  0.0000000000000E+00
   530  5.2900000000000E+00  2.2950600792958E-03  2.2951331022650E-03  0.0000000000000E+00
   531  5.3000000000000E+00  2.2601953599120E-03  2.2602672325598E-03  0.0000000000000E+00
   532  5.3100000000000E+00  2.2258620746794E-03  2.2259328163032E-03  0.0000000000000E+00
   533  5.3200000000000E+00  2.1920520601878E-03  2.1921216897351E-03  0.0000000000000E+00
   534  5.3300000000000E+00  2.1587572802184E-03  2.1588258162941E-03  0.0000000000000E+00
   535  5.3400000000000E+00  2.1259698237231E-03  2.1260372845958E-03  0.0000000000000E+00
   536  5.3500000000000E+00  2.0936819028353E-03  2.0937483064441E-03  0.0000000000000E+00
   537  5.3600000000000E+00  2.0618858509130E-03  2.0619512148742E-03  0.0000000000000E+00
   538  5.3700000000000E+00  2.0305741206135E-03  2.0306384622266E-03  0.0000000000000E+00
   539  5.3800000000000E+00  1.9997392820002E-03  1.9998026182541E-03  0.0000000000000E+00
   540  5.3900000000000E+00  1.9693740206786E-03  1.9694363682580E-03  0.0000000000000E+00
   541  5.4000000000000E+00  1.9394711359634E-03  1.9395325112543E-03  0.0000000000000E+00
   542  5.4100000000000E+00  1.9100235390751E-03  1.9100839581709E-03  0.0000000000000E+00
   543  5.4200000000000E+00  1.8810242513661E-03  1.8810837300731E-03  0.0000000000000E+00
   544  5.4300000000000E+00  1.8524664025745E-03  1.8525249564175E-03  0.0000000000000E+00
   545  5.4400000000000E+00  1.8243432291069E-03  1.8244008733348E-03  0.0000000000000E+00
   546  5.4500000000000E+00  1.7966480723496E-03  1.7967048219406E-03  0.0000000000000E+00
   547  5.4600000000000E+00  1.7693743770056E-03  1.7694302466723E-03  0.0000000000000E+00
   548  5.4700000000000E+00  1.7425156894594E-03  1.7425706936543E-03  0.0000000000000E+00
   549  5.4800000000000E+00  1.7160656561689E-03  1.7161198090889E-03  0.0000000000000E+00
   550  5.4900000000000E+00  1.6900180220816E-03  1.6900713376733E-03  0.0000000000000E+00
   551  5.5000000000000E+00  1.6643666290779E-03  1.6644191210422E-03  0.0000000000000E+00
   552  5.5100000000000E+00  1.6391054144389E-03  1.6391570962356E-03  0.0000000000000E+00
   553  5.5200000000000E+00  1.6142284093391E-03  1.6142792941919E-03  0.0000000000000E+00
   554  5.5300000000000E+00  1.5897297373636E-03  1.5897798382641E-03  0.0000000000000E+00
   555  5.5400000000000E+00  1.5656036130486E-03  1.5656529427611E-03  0.0000000000000E+00
   556  5.5500000000000E+00  1.5418443404467E-03  1.5418929115124E-03  0.0000000000000E+00
   557  5.5600000000000E+00  1.5184463117143E-03  1.5184941364554E-03  0.0000000000000E+00
   558  5.5700000000000E+00  1.4954040057218E-03  1.4954510962458E-03  0.0000000000000E+00
   559  5.5800000000000E+00  1.4727119866876E-03  1.4727583548912E-03  0.0000000000000E+00
   560  5.5900000000000E+00  1.4503649028320E-03  1.4504105604054E-03  0.0000000000000E+00
   561  5.6000000000000E+00  1.4283574850546E-03  1.4284024434851E-03  0.0000000000000E+00
   562  5.6100000000000E+00  1.4066845456325E-03  1.4067288162082E-03  0.0000000000000E+00
   563  5.6200000000000E+00  1.3853409769391E-03  1.3853845707531E-03  0.0000000000000E+00
   564  5.6300000000000E+00  1.3643217501839E-03  1.3643646781375E-03  0.0000000000000E+00
   565  5.6400000000000E+00  1.3436219141726E-03  1.3436641869792E-03  0.0000000000000E+00
   566  5.6500000000000E+00  1.3232365940875E-03  1.3232782222757E-03  0.0000000000000E+00
   567  5.6600000000000E+00  1.3031609902865E-03  1.3032019842042E-03  0.0000000000000E+00
   568  5.6700000000000E+00  1.2833903771225E-03  1.2834307469397E-03  0.0000000000000E+00
   569  5.6800000000000E+00  1.2639201017818E-03  1.2639598574941E-03  0.0000000000000E+00
   570  5.6900000000000E+00  1.2447455831404E-03  1.2447847345722E-03  0.0000000000000E+00
   571  5.7000000000000E+00  1.2258623106390E-03  1.2259008674468E-03  0.0000000000000E+00
   572  5.7100000000000E+00  1.2072658431766E-03  1.2073038148521E-03  0.0000000000000E+00
   573  5.7200000000000E+00  1.1889518080218E-03  1.1889892038946E-03  0.0000000000000E+00
   574  5.7300000000000E+00  1.1709158997405E-03  1.1709527289814E-03  0.0000000000000E+00
   575  5.7400000000000E+00  1.1531538791420E-03  1.1531901507660E-03  0.0000000000000E+00
   576  5.7500000000000E+00  1.1356615722422E-03  1.1356972951112E-03  0.0000000000000E+00
   577  5.7600000000000E+00  1.1184348692425E-03  1.1184700520681E-03  0.0000000000000E+00
   578  5.7700000000000E+00  1.1014697235250E-03  1.1015043748713E-03  0.0000000000000E+00
   579  5.7800000000000E+00  1.0847621506656E-03  1.0847962789518E-03  0.0000000000000E+00
   580  5.7900000000000E+00  1.0683082274604E-03  1.0683418409638E-03  0.0000000000000E+00
   581  5.8000000000000E+00  1.0521040909699E-03  1.0521371978279E-03  0.0000000000000E+00
   582  5.8100000000000E+00  1.0361459375768E-03  1.0361785457901E-03  0.0000000000000E+00
   583  5.8200000000000E+00  1.0204300220607E-03  1.0204621394951E-03  0.0000000000000E+00
   584  5.8300000000000E+00  1.0049526566856E-03  1.0049842910749E-03  0.0000000000000E+00
   585  5.8400000000000E+00  9.8971021030332E-04  9.8974136925187E-04  0.0000000000000E+00
   586  5.8500000000000E+00  9.7469910747143E-04  9.7472979845596E-04  0.0000000000000E+00
   587  5.8600000000000E+00  9.5991582758432E-04  9.5994605795657E-04  0.0000000000000E+00
   588  5.8700000000000E+00  9.4535690401871E-04  9.4538668100761E-04  0.0000000000000E+00
   589  5.8800000000000E+00  9.3101892329269E-04  9.3104825400658E-04  0.0000000000000E+00
   590  5.8900000000000E+00  9.1689852423871E-04  9.1692741566748E-04  0.0000000000000E+00
   591  5.9000000000000E+00  9.0299239718882E-04  9.0302085620608E-04  0.0000000000000E+00
   592  5.9100000000000E+00  8.8929728317344E-04  8.8932531653857E-04  0.0000000000000E+00
   593  5.9200000000000E+00  8.7580997313321E-04  8.7583758749342E-04  0.0000000000000E+00
   594  5.9300000000000E+00  8.6252730714291E-04  8.6255450903523E-04  0.0000000000000E+00
   595  5.9400000000000E+00  8.4944617364778E-04  8.4947296950103E-04  0.0000000000000E+00
   596  5.9500000000000E+00  8.3656350871211E-04  8.3658990484884E-04  0.0000000000000E+00
   597  5.9600000000000E+00  8.2387629528027E-04  8.2390229791863E-04  0.0000000000000E+00
   598  5.9700000000000E+00  8.1138156244855E-04  8.1140717770417E-04  0.0000000000000E+00
   599  5.9800000000000E+00  7.9907638474915E-04  7.9910161863691E-04  0.0000000000000E+00
   600  5.9900000000000E+00  7.8695788144568E-04  7.8698273988155E-04  0.0000000000000E+00
<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
  Zn 30.00    3    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
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.25207  -4.74920    4    9   7.50000
    1   1.91946  -3.06498    4    7   7.77911
    2   2.09229  -0.37265    4    9   7.59443
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.91666      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   4.52948
    1    2   3.02399
    2    2   1.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   2.50000   1.65000
#
# 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):  27 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  30 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.29 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.28 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>