18_Ar_8_1.8_1.9_pbe_n_v1.0.psp8

Ar    ONCVPSP-4.0.1  r_core=   1.91046   1.82118   1.91046
     18.0000      8.0000      220318    zatom,zion,pspd
     8      11   2     4   400     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  3.99000000  7.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   193  1.9200000000000E+00 -1.4583600564583E-05  4.1570024544381E-05
   194  1.9300000000000E+00  9.0885204716253E-06 -2.5974088771399E-05
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     1  0.0000000000000E+00 -8.9954272470251E+00
     2  1.0000000000000E-02 -8.9952623713715E+00
     3  2.0000000000000E-02 -8.9947673780419E+00
     4  3.0000000000000E-02 -8.9939434755279E+00
     5  4.0000000000000E-02 -8.9927922776768E+00
     6  5.0000000000000E-02 -8.9913160110122E+00
     7  6.0000000000000E-02 -8.9895174829706E+00
     8  7.0000000000000E-02 -8.9874000420239E+00
     9  8.0000000000000E-02 -8.9849675305770E+00
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   101  1.0000000000000E+00 -7.2919021155692E+00
   102  1.0100000000000E+00 -7.2513669628150E+00
   103  1.0200000000000E+00 -7.2106260282665E+00
   104  1.0300000000000E+00 -7.1697015298075E+00
   105  1.0400000000000E+00 -7.1286142029478E+00
   106  1.0500000000000E+00 -7.0873834604235E+00
   107  1.0600000000000E+00 -7.0460275704993E+00
   108  1.0700000000000E+00 -7.0045638420676E+00
   109  1.0800000000000E+00 -6.9630088065272E+00
   110  1.0900000000000E+00 -6.9213783886037E+00
   111  1.1000000000000E+00 -6.8796880603156E+00
   112  1.1100000000000E+00 -6.8379529742785E+00
   113  1.1200000000000E+00 -6.7961880740583E+00
   114  1.1300000000000E+00 -6.7544081808591E+00
   115  1.1400000000000E+00 -6.7126280566978E+00
   116  1.1500000000000E+00 -6.6708624452791E+00
   117  1.1600000000000E+00 -6.6291260922234E+00
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   314  3.1300000000000E+00  5.0415712522448E-02  5.0420432755991E-02  1.3557463814976E-09
   315  3.1400000000000E+00  4.9269180145215E-02  4.9273796277365E-02  1.2408344869200E-09
   316  3.1500000000000E+00  4.8149456085085E-02  4.8153970501022E-02  1.1356864647510E-09
   317  3.1600000000000E+00  4.7055896547497E-02  4.7060311575382E-02  1.0394705491647E-09
   318  3.1700000000000E+00  4.5987873491620E-02  4.5992191404016E-02  9.5142601891030E-10
   319  3.1800000000000E+00  4.4944774244361E-02  4.4948997259618E-02  8.7085711907362E-10
   320  3.1900000000000E+00  4.3926001123543E-02  4.3930131407149E-02  7.9712749172951E-10
   321  3.2000000000000E+00  4.2930971070078E-02  4.2935010735972E-02  7.2965509505024E-10
   322  3.2100000000000E+00  4.1959115288903E-02  4.1963066400756E-02  6.6790755136328E-10
   323  3.2200000000000E+00  4.1009878898525E-02  4.1013743470989E-02  6.1139789944512E-10
   324  3.2300000000000E+00  4.0082720588959E-02  4.0086500588880E-02  5.5968070845975E-10
   325  3.2400000000000E+00  3.9177112287878E-02  3.9180809635482E-02  5.1234852644984E-10
   326  3.2500000000000E+00  3.8292538834803E-02  3.8296155404848E-02  4.6902863367460E-10
   327  3.2600000000000E+00  3.7428497663134E-02  3.7432035286038E-02  4.2938007293831E-10
   328  3.2700000000000E+00  3.6584498489874E-02  3.6587958952805E-02  3.9309093676486E-10
   329  3.2800000000000E+00  3.5760063012835E-02  3.5763448060781E-02  3.5987588406154E-10
   330  3.2900000000000E+00  3.4954724615195E-02  3.4958035952004E-02  3.2947387303294E-10
   331  3.3000000000000E+00  3.4168028077211E-02  3.4171267366602E-02  3.0164608440425E-10
   332  3.3100000000000E+00  3.3399529294941E-02  3.3402698161495E-02  2.7617402655357E-10
   333  3.3200000000000E+00  3.2648795005804E-02  3.2651895035921E-02  2.5285779864182E-10
   334  3.3300000000000E+00  3.1915402520834E-02  3.1918435263673E-02  2.3151450660452E-10
   335  3.3400000000000E+00  3.1198939463452E-02  3.1201906431843E-02  2.1197681049012E-10
   336  3.3500000000000E+00  3.0499003514633E-02  3.0501906185969E-02  1.9409160009862E-10
   337  3.3600000000000E+00  2.9815202164299E-02  2.9818041981401E-02  1.7771877997836E-10
   338  3.3700000000000E+00  2.9147152468800E-02  2.9149930840764E-02  1.6273016196285E-10
   339  3.3800000000000E+00  2.8494480814341E-02  2.8497199117360E-02  1.4900844891747E-10
   340  3.3900000000000E+00  2.7856822686220E-02  2.7859482264388E-02  1.3644630848663E-10
   341  3.4000000000000E+00  2.7233822443728E-02  2.7236424609822E-02  1.2494552306583E-10
   342  3.4100000000000E+00  2.6625133100599E-02  2.6627679136839E-02  1.1441621496219E-10
   343  3.4200000000000E+00  2.6030416110849E-02  2.6032907269645E-02  1.0477613540112E-10
   344  3.4300000000000E+00  2.5449341159914E-02  2.5451778664587E-02  9.5950016219001E-11
   345  3.4400000000000E+00  2.4881585960922E-02  2.4883971006412E-02  8.7868975170314E-11
   346  3.4500000000000E+00  2.4326836056015E-02  2.4329169809568E-02  8.0469973373853E-11
   347  3.4600000000000E+00  2.3784784622563E-02  2.3787068224401E-02  7.3695317909907E-11
   348  3.4700000000000E+00  2.3255132284191E-02  2.3257366848166E-02  6.7492207666507E-11
   349  3.4800000000000E+00  2.2737586926468E-02  2.2739773540699E-02  6.1812317327512E-11
   350  3.4900000000000E+00  2.2231863517175E-02  2.2234003244670E-02  5.6611417125142E-11
   351  3.5000000000000E+00  2.1737683931026E-02  2.1739777810288E-02  5.1849024919560E-11
   352  3.5100000000000E+00  2.1254776778740E-02  2.1256825824352E-02  4.7488087752349E-11
   353  3.5200000000000E+00  2.0782877240354E-02  2.0784882443562E-02  4.3494690890426E-11
   354  3.5300000000000E+00  2.0321726902683E-02  2.0323689231952E-02  3.9837791070122E-11
   355  3.5400000000000E+00  1.9871073600824E-02  1.9872994002385E-02  3.6488973193521E-11
   356  3.5500000000000E+00  1.9430671263592E-02  1.9432550661977E-02  3.3422226819373E-11
   357  3.5600000000000E+00  1.9000279762822E-02  1.9002119061381E-02  3.0613742717148E-11
   358  3.5700000000000E+00  1.8579664766405E-02  1.8581464847814E-02  2.8041725553179E-11
   359  3.5800000000000E+00  1.8168597595006E-02  1.8170359321763E-02  2.5686223771161E-11
   360  3.5900000000000E+00  1.7766855082337E-02  1.7768579297242E-02  2.3528972609774E-11
   361  3.6000000000000E+00  1.7374219438936E-02  1.7375906965560E-02  2.1553251781871E-11
   362  3.6100000000000E+00  1.6990478119322E-02  1.6992129762465E-02  1.9743754017226E-11
   363  3.6200000000000E+00  1.6615423692489E-02  1.6617040238629E-02  1.8086465819646E-11
   364  3.6300000000000E+00  1.6248853715620E-02  1.6250435933344E-02  1.6568557532432E-11
   365  3.6400000000000E+00  1.5890570610964E-02  1.5892119251398E-02  1.5178283328049E-11
   366  3.6500000000000E+00  1.5540381545788E-02  1.5541897343006E-02  1.3904889308756E-11
   367  3.6600000000000E+00  1.5198098315331E-02  1.5199581986763E-02  1.2738529591235E-11
   368  3.6700000000000E+00  1.4863537228685E-02  1.4864989475508E-02  1.1670189501319E-11
   369  3.6800000000000E+00  1.4536518997531E-02  1.4537940505055E-02  1.0691615138104E-11
   370  3.6900000000000E+00  1.4216868627663E-02  1.4218260065703E-02  9.7952491929650E-12
   371  3.7000000000000E+00  1.3904415313215E-02  1.3905777336460E-02  8.9741718135362E-12
   372  3.7100000000000E+00  1.3598992333556E-02  1.3600325581922E-02  8.2220469655259E-12
   373  3.7200000000000E+00  1.3300436952741E-02  1.3301742051721E-02  7.5330728140935E-12
   374  3.7300000000000E+00  1.3008590321506E-02  1.3009867882508E-02  6.9019368151556E-12
   375  3.7400000000000E+00  1.2723297381696E-02  1.2724548002372E-02  6.3237741813150E-12
   376  3.7500000000000E+00  1.2444406773099E-02  1.2445631037670E-02  5.7941301819696E-12
   377  3.7600000000000E+00  1.2171770742609E-02  1.2172969222178E-02  5.3089254454283E-12
   378  3.7700000000000E+00  1.1905245055662E-02  1.1906418308523E-02  4.8644242681847E-12
   379  3.7800000000000E+00  1.1644688909903E-02  1.1645837481838E-02  4.4572056435960E-12
   380  3.7900000000000E+00  1.1389964850991E-02  1.1391089275564E-02  4.0841366120347E-12
   381  3.8000000000000E+00  1.1140938690544E-02  1.1142039489384E-02  3.7423480700117E-12
   382  3.8100000000000E+00  1.0897479426109E-02  1.0898557109190E-02  3.4292123746212E-12
   383  3.8200000000000E+00  1.0659459163165E-02  1.0660514229076E-02  3.1423231015749E-12
   384  3.8300000000000E+00  1.0426753039050E-02  1.0427785975260E-02  2.8794762855142E-12
   385  3.8400000000000E+00  1.0199239148820E-02  1.0200250431936E-02  2.6386534112537E-12
   386  3.8500000000000E+00  9.9767984729469E-03  9.9777885689660E-03  2.4180057557576E-12
   387  3.8600000000000E+00  9.7593148068304E-03  9.7602841713857E-03  2.2158400640963E-12
   388  3.8700000000000E+00  9.5466746920824E-03  9.5476237706825E-03  2.0306054902953E-12
   389  3.8800000000000E+00  9.3387673495144E-03  9.3396965777779E-03  1.8608815308879E-12
   390  3.8900000000000E+00  9.1354846138240E-03  9.1363944177075E-03  1.7053671266553E-12
   391  3.9000000000000E+00  8.9367208698909E-03  8.9376116659122E-03  1.5628705263336E-12
   392  3.9100000000000E+00  8.7423729906871E-03  8.7432451861425E-03  1.4323001352822E-12
   393  3.9200000000000E+00  8.5523402767256E-03  8.5531942699024E-03  1.3126560575060E-12
   394  3.9300000000000E+00  8.3665243970285E-03  8.3673605774116E-03  1.2030223773576E-12
   395  3.9400000000000E+00  8.1848293315727E-03  8.1856480800476E-03  1.1025601133459E-12
   396  3.9500000000000E+00  8.0071613151625E-03  8.0079630042118E-03  1.0105007052019E-12
   397  3.9600000000000E+00  7.8334287827220E-03  7.8342137766186E-03  9.2614013938627E-13
   398  3.9700000000000E+00  7.6635423159320E-03  7.6643109709268E-03  8.4883347392662E-13
   399  3.9800000000000E+00  7.4974145912168E-03  7.4981672557222E-03  7.7798990074599E-13
   400  3.9900000000000E+00  7.3349603290175E-03  7.3356973437865E-03  7.1306818297586E-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
  Ar 18.00    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    6.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.90000  -0.89253    4    8   6.27360
    1   1.81967  -0.37741    4    7   7.50000
    2   1.90000   0.10000    4    7   6.25990
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.78690      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   1.50000
    1    2   1.50000
    2    2   1.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   7.00000   1.25000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    4.00    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):  19 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.41 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.35 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>