57_La_11_2.5_2.8_pbe_n_v1.0.psp8

La    ONCVPSP-4.0.1  r_core=   2.80683   2.50527   2.80683   2.70787
     57.0000     11.0000      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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   497  4.9600000000000E+00  2.1070691242661E-02  2.1071050439526E-02  3.4271027442596E-10
   498  4.9700000000000E+00  2.0868830759578E-02  2.0869185040646E-02  3.2309723877290E-10
   499  4.9800000000000E+00  2.0668683367147E-02  2.0669032803808E-02  3.0460846556000E-10
   500  4.9900000000000E+00  2.0470236988889E-02  2.0470581651370E-02  2.8717939591611E-10
   501  5.0000000000000E+00  2.0273479645146E-02  2.0273819602536E-02  2.7074918575267E-10
   502  5.0100000000000E+00  2.0078399450372E-02  2.0078734770643E-02  2.5526049140809E-10
   503  5.0200000000000E+00  1.9884984610515E-02  1.9885315360547E-02  2.4065926669961E-10
   504  5.0300000000000E+00  1.9693223420526E-02  1.9693549666124E-02  2.2689457416880E-10
   505  5.0400000000000E+00  1.9503104261951E-02  1.9503426067866E-02  2.1391840572685E-10
   506  5.0500000000000E+00  1.9314615600623E-02  1.9314933030577E-02  2.0168551287661E-10
   507  5.0600000000000E+00  1.9127745984456E-02  1.9128059101156E-02  1.9015324883020E-10
   508  5.0700000000000E+00  1.8942484041323E-02  1.8942792906483E-02  1.7928141849320E-10
   509  5.0800000000000E+00  1.8758818477021E-02  1.8759123151381E-02  1.6903213638957E-10
   510  5.0900000000000E+00  1.8576738073326E-02  1.8577038616669E-02  1.5936969456139E-10
   511  5.1000000000000E+00  1.8396231686130E-02  1.8396528157302E-02  1.5026043714370E-10
   512  5.1100000000000E+00  1.8217288243654E-02  1.8217580700579E-02  1.4167264143116E-10
   513  5.1200000000000E+00  1.8039896744737E-02  1.8040185244437E-02  1.3357640731202E-10
   514  5.1300000000000E+00  1.7864046257211E-02  1.7864330855819E-02  1.2594355245167E-10
   515  5.1400000000000E+00  1.7689725916330E-02  1.7690006669109E-02  1.1874751269544E-10
   516  5.1500000000000E+00  1.7516924923285E-02  1.7517201884643E-02  1.1196324949186E-10
   517  5.1600000000000E+00  1.7345632543775E-02  1.7345905767283E-02  1.0556716234432E-10
   518  5.1700000000000E+00  1.7175838106652E-02  1.7176107645054E-02  9.9537005375336E-11
   519  5.1800000000000E+00  1.7007531002620E-02  1.7007796907853E-02  9.3851809780318E-11
   520  5.1900000000000E+00  1.6840700683002E-02  1.6840963006207E-02  8.8491810744174E-11
   521  5.2000000000000E+00  1.6675336658560E-02  1.6675595450098E-02  8.3438377518709E-11
   522  5.2100000000000E+00  1.6511428498377E-02  1.6511683807843E-02  7.8673948437594E-11
   523  5.2200000000000E+00  1.6348965828788E-02  1.6349217705024E-02  7.4181969944714E-11
   524  5.2300000000000E+00  1.6187938332370E-02  1.6188186823478E-02  6.9946837975566E-11
   525  5.2400000000000E+00  1.6028335746973E-02  1.6028580900329E-02  6.5953843472869E-11
   526  5.2500000000000E+00  1.5870147864816E-02  1.5870389727081E-02  6.2189121550347E-11
   527  5.2600000000000E+00  1.5713364531611E-02  1.5713603148745E-02  5.8639602331049E-11
   528  5.2700000000000E+00  1.5557975645746E-02  1.5558211063019E-02  5.5292965266236E-11
   529  5.2800000000000E+00  1.5403971157511E-02  1.5404203419517E-02  5.2137596730607E-11
   530  5.2900000000000E+00  1.5251341068358E-02  1.5251570219023E-02  4.9162548802810E-11
   531  5.3000000000000E+00  1.5100075430210E-02  1.5100301512807E-02  4.6357501036956E-11
   532  5.3100000000000E+00  1.4950164344806E-02  1.4950387401964E-02  4.3712724888170E-11
   533  5.3200000000000E+00  1.4801597963085E-02  1.4801818036801E-02  4.1219049367224E-11
   534  5.3300000000000E+00  1.4654366484603E-02  1.4654583616251E-02  3.8867828940194E-11
   535  5.3400000000000E+00  1.4508460156987E-02  1.4508674387330E-02  3.6650913680289E-11
   536  5.3500000000000E+00  1.4363869275425E-02  1.4364080644626E-02  3.4560620682557E-11
   537  5.3600000000000E+00  1.4220584182184E-02  1.4220792729814E-02  3.2589707094521E-11
   538  5.3700000000000E+00  1.4078595266160E-02  1.4078801031209E-02  3.0731345052948E-11
   539  5.3800000000000E+00  1.3937892962462E-02  1.3938095983347E-02  2.8979097919434E-11
   540  5.3900000000000E+00  1.3798467752014E-02  1.3798668066591E-02  2.7326897611531E-11
   541  5.4000000000000E+00  1.3660310161196E-02  1.3660507806768E-02  2.5769023540860E-11
   542  5.4100000000000E+00  1.3523410761505E-02  1.3523605774830E-02  2.4300082876548E-11
   543  5.4200000000000E+00  1.3387760169241E-02  1.3387952586542E-02  2.2914991485405E-11
   544  5.4300000000000E+00  1.3253349045215E-02  1.3253538902190E-02  2.1608956219861E-11
   545  5.4400000000000E+00  1.3120168094490E-02  1.3120355426316E-02  2.0377458538742E-11
   546  5.4500000000000E+00  1.2988208066126E-02  1.2988392907474E-02  1.9216238461742E-11
   547  5.4600000000000E+00  1.2857459752963E-02  1.2857642137999E-02  1.8121279761824E-11
   548  5.4700000000000E+00  1.2727913991414E-02  1.2728093953814E-02  1.7088796184365E-11
   549  5.4800000000000E+00  1.2599561661282E-02  1.2599739234232E-02  1.6115218132899E-11
   550  5.4900000000000E+00  1.2472393685586E-02  1.2472568901797E-02  1.5197180197683E-11
   551  5.5000000000000E+00  1.2346401030416E-02  1.2346573922129E-02  1.4331509558945E-11
   552  5.5100000000000E+00  1.2221574704798E-02  1.2221745303790E-02  1.3515214963187E-11
   553  5.5200000000000E+00  1.2097905760569E-02  1.2098074098167E-02  1.2745476211681E-11
   554  5.5300000000000E+00  1.1975385292280E-02  1.1975551399362E-02  1.2019634390968E-11
   555  5.5400000000000E+00  1.1854004437105E-02  1.1854168344095E-02  1.1335182758100E-11
   556  5.5500000000000E+00  1.1733754374756E-02  1.1733916111639E-02  1.0689757874034E-11
   557  5.5600000000000E+00  1.1614626327421E-02  1.1614785923745E-02  1.0081131396034E-11
   558  5.5700000000000E+00  1.1496611559704E-02  1.1496769044602E-02  9.5072024865299E-12
   559  5.5800000000000E+00  1.1379701378586E-02  1.1379856780783E-02  8.9659903873962E-12
   560  5.5900000000000E+00  1.1263887133387E-02  1.1264040481211E-02  8.4556275358857E-12
   561  5.6000000000000E+00  1.1149160215748E-02  1.1149311537127E-02  7.9743531561895E-12
   562  5.6100000000000E+00  1.1035512059613E-02  1.1035661382078E-02  7.5205071344979E-12
   563  5.6200000000000E+00  1.0922934141221E-02  1.0923081491910E-02  7.0925242014448E-12
   564  5.6300000000000E+00  1.0811417979105E-02  1.0811563384771E-02  6.6889285215082E-12
   565  5.6400000000000E+00  1.0700955134098E-02  1.0701098621117E-02  6.3083286505588E-12
   566  5.6500000000000E+00  1.0591537209351E-02  1.0591678803726E-02  5.9494126142013E-12
   567  5.6600000000000E+00  1.0483155850347E-02  1.0483295577715E-02  5.6109433617007E-12
   568  5.6700000000000E+00  1.0375802744929E-02  1.0375940630566E-02  5.2917545634942E-12
   569  5.6800000000000E+00  1.0269469623329E-02  1.0269605692155E-02  4.9907464987237E-12
   570  5.6900000000000E+00  1.0164148258201E-02  1.0164282534786E-02  4.7068822356447E-12
   571  5.7000000000000E+00  1.0059830464660E-02  1.0059962973229E-02  4.4391840733838E-12
   572  5.7100000000000E+00  9.9565081003244E-03  9.9566388647614E-03  4.1867301673076E-12
   573  5.7200000000000E+00  9.8541730653572E-03  9.8543021092121E-03  3.9486512920646E-12
   574  5.7300000000000E+00  9.7528173025153E-03  9.7529446490081E-03  3.7241278289555E-12
   575  5.7400000000000E+00  9.6524327972000E-03  9.6525584692254E-03  3.5123870013561E-12
   576  5.7500000000000E+00  9.5530115775060E-03  9.5531355976387E-03  3.3127001256628E-12
   577  5.7600000000000E+00  9.4545457142744E-03  9.4546681047738E-03  3.1243800974041E-12
   578  5.7700000000000E+00  9.3570273211478E-03  9.3571481039624E-03  2.9467790478158E-12
   579  5.7800000000000E+00  9.2604485546245E-03  9.2605677513966E-03  2.7792860902872E-12
   580  5.7900000000000E+00  9.1648016141128E-03  9.1649192461831E-03  2.6213251866692E-12
   581  5.8000000000000E+00  9.0700787419867E-03  9.0701948303986E-03  2.4723531588429E-12
   582  5.8100000000000E+00  8.9762722236420E-03  8.9763867891462E-03  2.3318578508761E-12
   583  5.8200000000000E+00  8.8833743875502E-03  8.8834874506086E-03  2.1993563120486E-12
   584  5.8300000000000E+00  8.7913776053118E-03  8.7914891861022E-03  2.0743931312576E-12
   585  5.8400000000000E+00  8.7002742917115E-03  8.7003844101312E-03  1.9565388920172E-12
   586  5.8500000000000E+00  8.6100569047687E-03  8.6101655804392E-03  1.8453886727986E-12
   587  5.8600000000000E+00  8.5207179457882E-03  8.5208251980588E-03  1.7405606375399E-12
   588  5.8700000000000E+00  8.4322499594093E-03  8.4323558073611E-03  1.6416947201419E-12
   589  5.8800000000000E+00  8.3446455336536E-03  8.3447499961036E-03  1.5484514073502E-12
   590  5.8900000000000E+00  8.2578972999691E-03  8.2580003954739E-03  1.4605105346713E-12
   591  5.9000000000000E+00  8.1719979332731E-03  8.1720996801325E-03  1.3775701835824E-12
   592  5.9100000000000E+00  8.0869401519932E-03  8.0870405682543E-03  1.2993456596479E-12
   593  5.9200000000000E+00  8.0027167181053E-03  8.0028158215658E-03  1.2255684992310E-12
   594  5.9300000000000E+00  7.9193204371679E-03  7.9194182453799E-03  1.1559855356301E-12
   595  5.9400000000000E+00  7.8367441583545E-03  7.8368406886279E-03  1.0903580262438E-12
   596  5.9500000000000E+00  7.7549807744841E-03  7.7550760438904E-03  1.0284608507346E-12
   597  5.9600000000000E+00  7.6740232220461E-03  7.6741172474214E-03  9.7008171028905E-13
   598  5.9700000000000E+00  7.5938644812233E-03  7.5939572791718E-03  9.1502039825674E-13
   599  5.9800000000000E+00  7.5144975759119E-03  7.5145891628096E-03  8.6308812149930E-13
   600  5.9900000000000E+00  7.4359155737377E-03  7.4360059657351E-03  8.1410684649224E-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
  La 57.00    9    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
    5    0    2.00
    5    1    6.00
    5    2    1.00
    6    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    3
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.80000  -1.43044    4    8   4.89557
    1   2.49185  -0.82320    4    8   5.05141
    2   2.79831  -0.11357    4    9   5.02940
    3   2.70537  -0.15967    4    7   7.02692
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   2.23830      2.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   1.29521
    1    2   4.00000
    2    2   4.00000
    3    2   3.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.35000
#
# 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):  15 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  18 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.39 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.36 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>