33_As_15_1.8_2.1_pbe_n_v1.0.psp8

As    ONCVPSP-4.0.1  r_core=   2.11085   1.80680   2.11085
     33.0000     15.0000      220722    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  5.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   4
     1  0.0000000000000E+00 -1.7366976018429E+01
     2  1.0000000000000E-02 -1.7366805112554E+01
     3  2.0000000000000E-02 -1.7366290187986E+01
     4  3.0000000000000E-02 -1.7365432520135E+01
     5  4.0000000000000E-02 -1.7364232878312E+01
     6  5.0000000000000E-02 -1.7362692256581E+01
     7  6.0000000000000E-02 -1.7360811793762E+01
     8  7.0000000000000E-02 -1.7358592673671E+01
     9  8.0000000000000E-02 -1.7356036008100E+01
    10  9.0000000000000E-02 -1.7353142705234E+01
    11  1.0000000000000E-01 -1.7349913326421E+01
    12  1.1000000000000E-01 -1.7346347934408E+01
    13  1.2000000000000E-01 -1.7342445936198E+01
    14  1.3000000000000E-01 -1.7338205923702E+01
    15  1.4000000000000E-01 -1.7333625515245E+01
    16  1.5000000000000E-01 -1.7328701200849E+01
    17  1.6000000000000E-01 -1.7323428194044E+01
    18  1.7000000000000E-01 -1.7317800292655E+01
    19  1.8000000000000E-01 -1.7311809750861E+01
    20  1.9000000000000E-01 -1.7305447164428E+01
    21  2.0000000000000E-01 -1.7298701370892E+01
    22  2.1000000000000E-01 -1.7291559366077E+01
    23  2.2000000000000E-01 -1.7284006238181E+01
    24  2.3000000000000E-01 -1.7276025120389E+01
    25  2.4000000000000E-01 -1.7267597162784E+01
    26  2.5000000000000E-01 -1.7258701524089E+01
    27  2.6000000000000E-01 -1.7249315383672E+01
    28  2.7000000000000E-01 -1.7239413973955E+01
    29  2.8000000000000E-01 -1.7228970633313E+01
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   443  4.4200000000000E+00  1.2065567098736E-02  1.2066063486328E-02  1.5654031925900E-10
   444  4.4300000000000E+00  1.1875189499708E-02  1.1875677527166E-02  1.4641958920950E-10
   445  4.4400000000000E+00  1.1687908630256E-02  1.1688388444502E-02  1.3695440536860E-10
   446  4.4500000000000E+00  1.1503672453047E-02  1.1504144198300E-02  1.2810222377802E-10
   447  4.4600000000000E+00  1.1322429829022E-02  1.1322893646851E-02  1.1982326695973E-10
   448  4.4700000000000E+00  1.1144130501730E-02  1.1144586531099E-02  1.1208034346896E-10
   449  4.4800000000000E+00  1.0968725081923E-02  1.0969173459249E-02  1.0483868043048E-10
   450  4.4900000000000E+00  1.0796165032421E-02  1.0796605891618E-02  9.8065764768031E-11
   451  4.5000000000000E+00  1.0626402653235E-02  1.0626836125765E-02  9.1731196652292E-11
   452  4.5100000000000E+00  1.0459391066946E-02  1.0459817281863E-02  8.5806551990064E-11
   453  4.5200000000000E+00  1.0295084204331E-02  1.0295503288329E-02  8.0265253055811E-11
   454  4.5300000000000E+00  1.0133436790242E-02  1.0133848867701E-02  7.5082449142492E-11
   455  4.5400000000000E+00  9.9744043297248E-03  9.9748095227538E-03  7.0234903626887E-11
   456  4.5500000000000E+00  9.8179430943785E-03  9.8183415228598E-03  6.5700888697596E-11
   457  4.5600000000000E+00  9.6640101089504E-03  9.6644018905820E-03  6.1460087959536E-11
   458  4.5700000000000E+00  9.5125631381612E-03  9.5129483884980E-03  5.7493503775384E-11
   459  4.5800000000000E+00  9.3635606737592E-03  9.3639395062546E-03  5.3783371781874E-11
   460  4.5900000000000E+00  9.2169619217996E-03  9.2173344478450E-03  5.0313080922631E-11
   461  4.6000000000000E+00  9.0727267901409E-03  9.0730931191055E-03  4.7067097895738E-11
   462  4.6100000000000E+00  8.9308158761624E-03  8.9311761154313E-03  4.4030897516995E-11
   463  4.6200000000000E+00  8.7911904546919E-03  8.7915447097038E-03  4.1190897065621E-11
   464  4.6300000000000E+00  8.6538124661433E-03  8.6541608404280E-03  3.8534394714379E-11
   465  4.6400000000000E+00  8.5186445048635E-03  8.5189871000774E-03  3.6049512778170E-11
   466  4.6500000000000E+00  8.3856498076779E-03  8.3859867236400E-03  3.3725143791195E-11
   467  4.6600000000000E+00  8.2547922426379E-03  8.2551235773646E-03  3.1550900391172E-11
   468  4.6700000000000E+00  8.1260362979655E-03  8.1263621477044E-03  2.9517068959636E-11
   469  4.6800000000000E+00  7.9993470711879E-03  7.9996675304515E-03  2.7614565407346E-11
   470  4.6900000000000E+00  7.8746902584636E-03  7.8750054200621E-03  2.5834894427098E-11
   471  4.7000000000000E+00  7.7520321440960E-03  7.7523420991693E-03  2.4170111444256E-11
   472  4.7100000000000E+00  7.6313395902276E-03  7.6316444282767E-03  2.2612786539593E-11
   473  4.7200000000000E+00  7.5125800267172E-03  7.5128798356353E-03  2.1155971232652E-11
   474  4.7300000000000E+00  7.3957214411932E-03  7.3960163072959E-03  1.9793167257313E-11
   475  4.7400000000000E+00  7.2807323692806E-03  7.2810223773355E-03  1.8518297133288E-11
   476  4.7500000000000E+00  7.1675818850010E-03  7.1678671182568E-03  1.7325677080543E-11
   477  4.7600000000000E+00  7.0562395913397E-03  7.0565201315548E-03  1.6209991391607E-11
   478  4.7700000000000E+00  6.9466756109782E-03  6.9469515384484E-03  1.5166268430168E-11
   479  4.7800000000000E+00  6.8388605771916E-03  6.8391319707778E-03  1.4189858537761E-11
   480  4.7900000000000E+00  6.7327656249033E-03  6.7330325620582E-03  1.3276412999779E-11
   481  4.8000000000000E+00  6.6283623818982E-03  6.6286249386925E-03  1.2421864470857E-11
   482  4.8100000000000E+00  6.5256229601919E-03  6.5258812113405E-03  1.1622408947674E-11
   483  4.8200000000000E+00  6.4245199475491E-03  6.4247739664362E-03  1.0874488503405E-11
   484  4.8300000000000E+00  6.3250263991533E-03  6.3252762578569E-03  1.0174775341986E-11
   485  4.8400000000000E+00  6.2271158294236E-03  6.2273615987405E-03  9.5201570443139E-12
   486  4.8500000000000E+00  6.1307622039741E-03  6.1310039534431E-03  8.9077224366385E-12
   487  4.8600000000000E+00  6.0359399317160E-03  6.0361777296418E-03  8.3347485880398E-12
   488  4.8700000000000E+00  5.9426238571004E-03  5.9428577705763E-03  7.7986887181761E-12
   489  4.8800000000000E+00  5.8507892524957E-03  5.8510193474260E-03  7.2971606515428E-12
   490  4.8900000000000E+00  5.7604118107008E-03  5.7606381518230E-03  6.8279362019124E-12
   491  4.9000000000000E+00  5.6714676375917E-03  5.6716902884982E-03  6.3889312641271E-12
   492  4.9100000000000E+00  5.5839332448955E-03  5.5841522680547E-03  5.9781963802969E-12
   493  4.9200000000000E+00  5.4977855430946E-03  5.4980009998715E-03  5.5939080705841E-12
   494  4.9300000000000E+00  5.4130018344556E-03  5.4132137851325E-03  5.2343607158953E-12
   495  4.9400000000000E+00  5.3295598061804E-03  5.3297683099769E-03  4.8979588484767E-12
   496  4.9500000000000E+00  5.2474375236806E-03  5.2476426387729E-03  4.5832100700710E-12
   497  4.9600000000000E+00  5.1666134239698E-03  5.1668152075102E-03  4.2887184035007E-12
   498  4.9700000000000E+00  5.0870663091724E-03  5.0872648173081E-03  4.0131779910218E-12
   499  4.9800000000000E+00  5.0087753401487E-03  5.0089706280403E-03  3.7553673073688E-12
   500  4.9900000000000E+00  4.9317200302328E-03  4.9319121520723E-03  3.5141437162571E-12
   501  5.0000000000000E+00  4.8558802390798E-03  4.8560692481087E-03  3.2884383179496E-12
   502  5.0100000000000E+00  4.7812361666243E-03  4.7814221151507E-03  3.0772512188350E-12
   503  5.0200000000000E+00  4.7077683471456E-03  4.7079512865614E-03  2.8796470763232E-12
   504  5.0300000000000E+00  4.6354576434358E-03  4.6356376242338E-03  2.6947508846099E-12
   505  5.0400000000000E+00  4.5642852410752E-03  4.5644623128651E-03  2.5217441065034E-12
   506  5.0500000000000E+00  4.4942326428066E-03  4.4944068543314E-03  2.3598610290306E-12
   507  5.0600000000000E+00  4.4252816630096E-03  4.4254530621613E-03  2.2083853152359E-12
   508  5.0700000000000E+00  4.3574144222741E-03  4.3575830561096E-03  2.0666468398518E-12
   509  5.0800000000000E+00  4.2906133420699E-03  4.2907792568258E-03  1.9340187097730E-12
   510  5.0900000000000E+00  4.2248611395098E-03  4.2250243806175E-03  1.8099144414517E-12
   511  5.1000000000000E+00  4.1601408222068E-03  4.1603014343071E-03  1.6937853712310E-12
   512  5.1100000000000E+00  4.0964356832229E-03  4.0965937101806E-03  1.5851182209578E-12
   513  5.1200000000000E+00  4.0337292961059E-03  4.0338847810238E-03  1.4834327864279E-12
   514  5.1300000000000E+00  3.9720055100163E-03  3.9721584952488E-03  1.3882798170189E-12
   515  5.1400000000000E+00  3.9112484449401E-03  3.9113989721071E-03  1.2992390281287E-12
   516  5.1500000000000E+00  3.8514424869856E-03  3.8515905969857E-03  1.2159172072511E-12
   517  5.1600000000000E+00  3.7925722837650E-03  3.7927180167886E-03  1.1379464769583E-12
   518  5.1700000000000E+00  3.7346227398584E-03  3.7347661354003E-03  1.0649826734252E-12
   519  5.1800000000000E+00  3.6775790123564E-03  3.6777201092287E-03  9.9670379394583E-13
   520  5.1900000000000E+00  3.6214265064835E-03  3.6215653428278E-03  9.3280857315275E-13
   521  5.2000000000000E+00  3.5661508712997E-03  3.5662874845992E-03  8.7301516130029E-13
   522  5.2100000000000E+00  3.5117379954766E-03  3.5118724225677E-03  8.1705985108564E-13
   523  5.2200000000000E+00  3.4581740031491E-03  3.4583062802338E-03  7.6469590991382E-13
   524  5.2300000000000E+00  3.4054452498434E-03  3.4055754124998E-03  7.1569250343919E-13
   525  5.2400000000000E+00  3.3535383184727E-03  3.3536664016669E-03  6.6983365088054E-13
   526  5.2500000000000E+00  3.3024400154073E-03  3.3025660535040E-03  6.2691726734718E-13
   527  5.2600000000000E+00  3.2521373666144E-03  3.2522613933881E-03  5.8675428652200E-13
   528  5.2700000000000E+00  3.2026176138649E-03  3.2027396625101E-03  5.4916780393246E-13
   529  5.2800000000000E+00  3.1538682110079E-03  3.1539883141496E-03  5.1399229324475E-13
   530  5.2900000000000E+00  3.1058768203129E-03  3.1059950100169E-03  4.8107288618548E-13
   531  5.3000000000000E+00  3.0586313088750E-03  3.0587476166580E-03  4.5026467539704E-13
   532  5.3100000000000E+00  3.0121197450846E-03  3.0122342019237E-03  4.2143207034719E-13
   533  5.3200000000000E+00  2.9663303951604E-03  2.9664430315029E-03  3.9444820620770E-13
   534  5.3300000000000E+00  2.9212517197430E-03  2.9213625655160E-03  3.6919437743585E-13
   535  5.3400000000000E+00  2.8768723705490E-03  2.8769814551684E-03  3.4555950803248E-13
   536  5.3500000000000E+00  2.8331811870849E-03  2.8332885394649E-03  3.2343966579201E-13
   537  5.3600000000000E+00  2.7901671934197E-03  2.7902728419813E-03  3.0273760281767E-13
   538  5.3700000000000E+00  2.7478195950129E-03  2.7479235676929E-03  2.8336231954824E-13
   539  5.3800000000000E+00  2.7061277756004E-03  2.7062300998601E-03  2.6522866518375E-13
   540  5.3900000000000E+00  2.6650812941361E-03  2.6651819969694E-03  2.4825696549379E-13
   541  5.4000000000000E+00  2.6246698817849E-03  2.6247689897271E-03  2.3237266385329E-13
   542  5.4100000000000E+00  2.5848834389716E-03  2.5849809781070E-03  2.1750599223611E-13
   543  5.4200000000000E+00  2.5457120324819E-03  2.5458080284521E-03  2.0359167008853E-13
   544  5.4300000000000E+00  2.5071458926128E-03  2.5072403706245E-03  1.9056860838063E-13
   545  5.4400000000000E+00  2.4691754103748E-03  2.4692683952076E-03  1.7837964019961E-13
   546  5.4500000000000E+00  2.4317911347446E-03  2.4318826507582E-03  1.6697127385223E-13
   547  5.4600000000000E+00  2.3949837699642E-03  2.3950738411061E-03  1.5629345221547E-13
   548  5.4700000000000E+00  2.3587441728886E-03  2.3588328227012E-03  1.4629933099295E-13
   549  5.4800000000000E+00  2.3230633503813E-03  2.3231506020094E-03  1.3694507516479E-13
   550  5.4900000000000E+00  2.2879324567552E-03  2.2880183329526E-03  1.2818966483925E-13
   551  5.5000000000000E+00  2.2533427912577E-03  2.2534273143942E-03  1.1999471206161E-13
   552  5.5100000000000E+00  2.2192857956018E-03  2.2193689876700E-03  1.1232429283894E-13
   553  5.5200000000000E+00  2.1857530515405E-03  2.1858349341624E-03  1.0514479084842E-13
   554  5.5300000000000E+00  2.1527362784827E-03  2.1528168729163E-03  9.8424746034183E-14
   555  5.5400000000000E+00  2.1202273311521E-03  2.1203066582975E-03  9.2134715871713E-14
   556  5.5500000000000E+00  2.0882181972886E-03  2.0882962776947E-03  8.6247149597384E-14
   557  5.5600000000000E+00  2.0567009953880E-03  2.0567778492582E-03  8.0736262938928E-14
   558  5.5700000000000E+00  2.0256679724819E-03  2.0257436196805E-03  7.5577924867100E-14
   559  5.5800000000000E+00  1.9951115019587E-03  1.9951859620168E-03  7.0749553425898E-14
   560  5.5900000000000E+00  1.9650240814212E-03  1.9650973735421E-03  6.6230015160023E-14
   561  5.6000000000000E+00  1.9353983305811E-03  1.9354704736467E-03  6.1999531210098E-14
   562  5.6100000000000E+00  1.9062269891932E-03  1.9062980017689E-03  5.8039591105987E-14
   563  5.6200000000000E+00  1.8775029150239E-03  1.8775728153648E-03  5.4332872284619E-14
   564  5.6300000000000E+00  1.8492190818558E-03  1.8492878879114E-03  5.0863162181278E-14
   565  5.6400000000000E+00  1.8213685775270E-03  1.8214363069472E-03  4.7615286854505E-14
   566  5.6500000000000E+00  1.7939446020068E-03  1.7940112721466E-03  4.4575046519779E-14
   567  5.6600000000000E+00  1.7669404655024E-03  1.7670060934273E-03  4.1729150931349E-14
   568  5.6700000000000E+00  1.7403495866002E-03  1.7404141890911E-03  3.9065161147407E-14
   569  5.6800000000000E+00  1.7141654904402E-03  1.7142290839984E-03  3.6571435900020E-14
   570  5.6900000000000E+00  1.6883818069217E-03  1.6884444077737E-03  3.4237080074808E-14
   571  5.7000000000000E+00  1.6629922689398E-03  1.6630538930421E-03  3.2051896223033E-14
   572  5.7100000000000E+00  1.6379907106540E-03  1.6380513736978E-03  3.0006340008913E-14
   573  5.7200000000000E+00  1.6133710657873E-03  1.6134307832029E-03  2.8091479282387E-14
   574  5.7300000000000E+00  1.5891273659531E-03  1.5891861529146E-03  2.6298953633051E-14
   575  5.7400000000000E+00  1.5652537390129E-03  1.5653116104426E-03  2.4620937752962E-14
   576  5.7500000000000E+00  1.5417444074630E-03  1.5418013780358E-03  2.3050108091394E-14
   577  5.7600000000000E+00  1.5185936868485E-03  1.5186497709960E-03  2.1579609975508E-14
   578  5.7700000000000E+00  1.4957959842047E-03  1.4958511961193E-03  2.0203027383367E-14
   579  5.7800000000000E+00  1.4733457965264E-03  1.4734001501659E-03  1.8914355101307E-14
   580  5.7900000000000E+00  1.4512377092647E-03  1.4512912183558E-03  1.7707972752783E-14
   581  5.8000000000000E+00  1.4294663948477E-03  1.4295190728901E-03  1.6578619498613E-14
   582  5.8100000000000E+00  1.4080266112281E-03  1.4080784714989E-03  1.5521370963839E-14
   583  5.8200000000000E+00  1.3869132004580E-03  1.3869642560147E-03  1.4531618443929E-14
   584  5.8300000000000E+00  1.3661210872849E-03  1.3661713509697E-03  1.3605048018936E-14
   585  5.8400000000000E+00  1.3456452777745E-03  1.3456947622179E-03  1.2737621656102E-14
   586  5.8500000000000E+00  1.3254808579568E-03  1.3255295755812E-03  1.1925559757330E-14
   587  5.8600000000000E+00  1.3056229924962E-03  1.3056709555194E-03  1.1165324764196E-14
   588  5.8700000000000E+00  1.2860669233836E-03  1.2861141438223E-03  1.0453605275114E-14
   589  5.8800000000000E+00  1.2668079686514E-03  1.2668544583248E-03  9.7873015276681E-15
   590  5.8900000000000E+00  1.2478415211126E-03  1.2478872916456E-03  9.1635123800367E-15
   591  5.9000000000000E+00  1.2291630471189E-03  1.2292081099454E-03  8.5795221230806E-15
   592  5.9100000000000E+00  1.2107680853422E-03  1.2108124517084E-03  8.0327886182117E-15
   593  5.9200000000000E+00  1.1926522455763E-03  1.1926959265440E-03  7.5209323163271E-15
   594  5.9300000000000E+00  1.1748112075605E-03  1.1748542140102E-03  7.0417259820637E-15
   595  5.9400000000000E+00  1.1572407198218E-03  1.1572830624556E-03  6.5930846722406E-15
   596  5.9500000000000E+00  1.1399365985378E-03  1.1399782878826E-03  6.1730566147129E-15
   597  5.9600000000000E+00  1.1228947264204E-03  1.1229357728309E-03  5.7798150160539E-15
   598  5.9700000000000E+00  1.1061110516170E-03  1.1061514652785E-03  5.4116497985433E-15
   599  5.9800000000000E+00  1.0895815866310E-03  1.0896213775624E-03  5.0669601157744E-15
   600  5.9900000000000E+00  1.0733024072618E-03  1.0733415853182E-03  4.7442474112998E-15
<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
  As 33.00    5    3       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    3.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.10000   0.00000    4    8   5.50000
    1   1.80000   0.00000    4    8   9.00000
    2   2.10000   0.00000    4    8   7.80000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.60000      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.50000
    1    2   2.50000
    2    2   2.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.40000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -10.00    5.00    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>