11_Na_9_1.8_2.2_pbe_v1.0.psp8

Na    ONCVPSP-4.0.1  r_core=   1.77096   2.20971
     11.0000      9.0000      220318    zatom,zion,pspd
     8      11   1     4   400     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  3.99000000  0.00000000  0.00000000    rchrg fchrg qchrg
     2     2     0     0     0    nproj
     1     1           extension_switch
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   225  2.2400000000000E+00  7.4877385099175E-02  7.4885226531877E-02  0.0000000000000E+00
   226  2.2500000000000E+00  7.3446883464918E-02  7.3454462041512E-02  0.0000000000000E+00
   227  2.2600000000000E+00  7.2064779664264E-02  7.2072104867185E-02  0.0000000000000E+00
   228  2.2700000000000E+00  7.0729183296715E-02  7.0736264260658E-02  0.0000000000000E+00
   229  2.2800000000000E+00  6.9438280699796E-02  6.9445126221546E-02  0.0000000000000E+00
   230  2.2900000000000E+00  6.8190331755380E-02  6.8196950299063E-02  0.0000000000000E+00
   231  2.3000000000000E+00  6.6983666811347E-02  6.6990066523395E-02  0.0000000000000E+00
   232  2.3100000000000E+00  6.5816683739860E-02  6.5822872461334E-02  0.0000000000000E+00
   233  2.3200000000000E+00  6.4687845112677E-02  6.4693830391091E-02  0.0000000000000E+00
   234  2.3300000000000E+00  6.3595675490876E-02  6.3601464591533E-02  0.0000000000000E+00
   235  2.3400000000000E+00  6.2538758824470E-02  6.2544358741334E-02  0.0000000000000E+00
   236  2.3500000000000E+00  6.1515735957619E-02  6.1521153423749E-02  0.0000000000000E+00
   237  2.3600000000000E+00  6.0525302235440E-02  6.0530543732998E-02  0.0000000000000E+00
   238  2.3700000000000E+00  5.9566205208632E-02  5.9571276978487E-02  0.0000000000000E+00
   239  2.3800000000000E+00  5.8637242432348E-02  5.8642150483298E-02  0.0000000000000E+00
   240  2.3900000000000E+00  5.7737259355885E-02  5.7742009473502E-02  0.0000000000000E+00
   241  2.4000000000000E+00  5.6865147300053E-02  5.6869745055186E-02  0.0000000000000E+00
   242  2.4100000000000E+00  5.6019841519191E-02  5.6024292276123E-02  0.0000000000000E+00
   243  2.4200000000000E+00  5.5200319344923E-02  5.5204628269210E-02  0.0000000000000E+00
   244  2.4300000000000E+00  5.4405598408944E-02  5.4409770474945E-02  0.0000000000000E+00
   245  2.4400000000000E+00  5.3634734942206E-02  5.3638774940323E-02  0.0000000000000E+00
   246  2.4500000000000E+00  5.2886822147993E-02  5.2890734691622E-02  0.0000000000000E+00
   247  2.4600000000000E+00  5.2160988646420E-02  5.2164778178641E-02  0.0000000000000E+00
   248  2.4700000000000E+00  5.1456396988024E-02  5.1460067788026E-02  0.0000000000000E+00
   249  2.4800000000000E+00  5.0772242234103E-02  5.0775798423373E-02  0.0000000000000E+00
   250  2.4900000000000E+00  5.0107750601535E-02  5.0111196149798E-02  0.0000000000000E+00
   251  2.5000000000000E+00  4.9462178169817E-02  4.9465516900762E-02  0.0000000000000E+00
   252  2.5100000000000E+00  4.8834809648083E-02  4.8838045244866E-02  0.0000000000000E+00
   253  2.5200000000000E+00  4.8224957199868E-02  4.8228093210410E-02  0.0000000000000E+00
   254  2.5300000000000E+00  4.7631959323370E-02  4.7634999165453E-02  0.0000000000000E+00
   255  2.5400000000000E+00  4.7055179784963E-02  4.7058126751138E-02  0.0000000000000E+00
   256  2.5500000000000E+00  4.6494006603709E-02  4.6496863866021E-02  0.0000000000000E+00
   257  2.5600000000000E+00  4.5947851084601E-02  4.5950621699129E-02  0.0000000000000E+00
   258  2.5700000000000E+00  4.5416146898264E-02  4.5418833809503E-02  0.0000000000000E+00
   259  2.5800000000000E+00  4.4898349204847E-02  4.4900955249919E-02  0.0000000000000E+00
   260  2.5900000000000E+00  4.4393933819846E-02  4.4396461732554E-02  0.0000000000000E+00
   261  2.6000000000000E+00  4.3902396419621E-02  4.3904848834352E-02  0.0000000000000E+00
   262  2.6100000000000E+00  4.3423251784378E-02  4.3425631239862E-02  0.0000000000000E+00
   263  2.6200000000000E+00  4.2956033076467E-02  4.2958342019389E-02  0.0000000000000E+00
   264  2.6300000000000E+00  4.2500291151868E-02  4.2502531940350E-02  0.0000000000000E+00
   265  2.6400000000000E+00  4.2055593902797E-02  4.2057768809743E-02  0.0000000000000E+00
   266  2.6500000000000E+00  4.1621525629505E-02  4.1623636845824E-02  0.0000000000000E+00
   267  2.6600000000000E+00  4.1197686439332E-02  4.1199736077036E-02  0.0000000000000E+00
   268  2.6700000000000E+00  4.0783691671231E-02  4.0785681766415E-02  0.0000000000000E+00
   269  2.6800000000000E+00  4.0379171344171E-02  4.0381103859880E-02  0.0000000000000E+00
   270  2.6900000000000E+00  3.9983769627671E-02  3.9985646456655E-02  0.0000000000000E+00
   271  2.7000000000000E+00  3.9597144333168E-02  3.9598967300534E-02  0.0000000000000E+00
   272  2.7100000000000E+00  3.9218966424809E-02  3.9220737290570E-02  0.0000000000000E+00
   273  2.7200000000000E+00  3.8848919548383E-02  3.8850640009905E-02  0.0000000000000E+00
   274  2.7300000000000E+00  3.8486699577400E-02  3.8488371271759E-02  0.0000000000000E+00
   275  2.7400000000000E+00  3.8132014175173E-02  3.8133638681418E-02  0.0000000000000E+00
   276  2.7500000000000E+00  3.7784582372067E-02  3.7786161213395E-02  0.0000000000000E+00
   277  2.7600000000000E+00  3.7444134157138E-02  3.7445668802988E-02  0.0000000000000E+00
   278  2.7700000000000E+00  3.7110410083310E-02  3.7111901951370E-02  0.0000000000000E+00
   279  2.7800000000000E+00  3.6783160885613E-02  3.6784611343750E-02  0.0000000000000E+00
   280  2.7900000000000E+00  3.6462147111781E-02  3.6463557479902E-02  0.0000000000000E+00
   281  2.8000000000000E+00  3.6147138764771E-02  3.6148510316600E-02  0.0000000000000E+00
   282  2.8100000000000E+00  3.5837914956769E-02  3.5839248921567E-02  0.0000000000000E+00
   283  2.8200000000000E+00  3.5534263574217E-02  3.5535561138429E-02  0.0000000000000E+00
   284  2.8300000000000E+00  3.5235980953595E-02  3.5237243262429E-02  0.0000000000000E+00
   285  2.8400000000000E+00  3.4942871567560E-02  3.4944099726516E-02  0.0000000000000E+00
   286  2.8500000000000E+00  3.4654747721198E-02  3.4655942797525E-02  0.0000000000000E+00
   287  2.8600000000000E+00  3.4371429258109E-02  3.4372592282215E-02  0.0000000000000E+00
   288  2.8700000000000E+00  3.4092743276055E-02  3.4093875242858E-02  0.0000000000000E+00
   289  2.8800000000000E+00  3.3818523851972E-02  3.3819625722199E-02  0.0000000000000E+00
   290  2.8900000000000E+00  3.3548611776082E-02  3.3549684477522E-02  0.0000000000000E+00
   291  2.9000000000000E+00  3.3282854294928E-02  3.3283898723628E-02  0.0000000000000E+00
   292  2.9100000000000E+00  3.3021104863079E-02  3.3022121884506E-02  0.0000000000000E+00
   293  2.9200000000000E+00  3.2763222903341E-02  3.2764213353488E-02  0.0000000000000E+00
   294  2.9300000000000E+00  3.2509073575226E-02  3.2510038261687E-02  0.0000000000000E+00
   295  2.9400000000000E+00  3.2258527551516E-02  3.2259467254508E-02  0.0000000000000E+00
   296  2.9500000000000E+00  3.2011460802685E-02  3.2012376276040E-02  0.0000000000000E+00
   297  2.9600000000000E+00  3.1767754388998E-02  3.1768646361117E-02  0.0000000000000E+00
   298  2.9700000000000E+00  3.1527294260077E-02  3.1528163434840E-02  0.0000000000000E+00
   299  2.9800000000000E+00  3.1289971061729E-02  3.1290818119379E-02  0.0000000000000E+00
   300  2.9900000000000E+00  3.1055679949832E-02  3.1056505547825E-02  0.0000000000000E+00
   301  3.0000000000000E+00  3.0824320411092E-02  3.0825125184910E-02  0.0000000000000E+00
   302  3.0100000000000E+00  3.0595796090444E-02  3.0596580654380E-02  0.0000000000000E+00
   303  3.0200000000000E+00  3.0370014624917E-02  3.0370779572832E-02  0.0000000000000E+00
   304  3.0300000000000E+00  3.0146887483757E-02  3.0147633389806E-02  0.0000000000000E+00
   305  3.0400000000000E+00  2.9926329814601E-02  2.9927057233936E-02  0.0000000000000E+00
   306  3.0500000000000E+00  2.9708260295529E-02  2.9708969764972E-02  0.0000000000000E+00
   307  3.0600000000000E+00  2.9492600992774E-02  2.9493293031465E-02  0.0000000000000E+00
   308  3.0700000000000E+00  2.9279277223921E-02  2.9279952333945E-02  0.0000000000000E+00
   309  3.0800000000000E+00  2.9068217426396E-02  2.9068876093384E-02  0.0000000000000E+00
   310  3.0900000000000E+00  2.8859353031069E-02  2.8859995724778E-02  0.0000000000000E+00
   311  3.1000000000000E+00  2.8652618340779E-02  2.8653245515651E-02  0.0000000000000E+00
   312  3.1100000000000E+00  2.8447950413631E-02  2.8448562509330E-02  0.0000000000000E+00
   313  3.1200000000000E+00  2.8245288950853E-02  2.8245886392782E-02  0.0000000000000E+00
   314  3.1300000000000E+00  2.8044576189087E-02  2.8045159388891E-02  0.0000000000000E+00
   315  3.1400000000000E+00  2.7845756796924E-02  2.7846326152967E-02  0.0000000000000E+00
   316  3.1500000000000E+00  2.7648777775537E-02  2.7649333673366E-02  0.0000000000000E+00
   317  3.1600000000000E+00  2.7453588363248E-02  2.7454131176040E-02  0.0000000000000E+00
   318  3.1700000000000E+00  2.7260139943891E-02  2.7260670032882E-02  0.0000000000000E+00
   319  3.1800000000000E+00  2.7068385958818E-02  2.7068903673721E-02  0.0000000000000E+00
   320  3.1900000000000E+00  2.6878281822415E-02  2.6878787501812E-02  0.0000000000000E+00
   321  3.2000000000000E+00  2.6689784840979E-02  2.6690278812714E-02  0.0000000000000E+00
   322  3.2100000000000E+00  2.6502854134845E-02  2.6503336716388E-02  0.0000000000000E+00
   323  3.2200000000000E+00  2.6317450563620E-02  2.6317922062429E-02  0.0000000000000E+00
   324  3.2300000000000E+00  2.6133536654403E-02  2.6133997368267E-02  0.0000000000000E+00
   325  3.2400000000000E+00  2.5951076532891E-02  2.5951526750263E-02  0.0000000000000E+00
   326  3.2500000000000E+00  2.5770035857228E-02  2.5770475857544E-02  0.0000000000000E+00
   327  3.2600000000000E+00  2.5590381754523E-02  2.5590811808511E-02  0.0000000000000E+00
   328  3.2700000000000E+00  2.5412082759890E-02  2.5412503129866E-02  0.0000000000000E+00
   329  3.2800000000000E+00  2.5235108757956E-02  2.5235519698116E-02  0.0000000000000E+00
   330  3.2900000000000E+00  2.5059430926693E-02  2.5059832683383E-02  0.0000000000000E+00
   331  3.3000000000000E+00  2.4885021683522E-02  2.4885414495510E-02  0.0000000000000E+00
   332  3.3100000000000E+00  2.4711854633561E-02  2.4712238732292E-02  0.0000000000000E+00
   333  3.3200000000000E+00  2.4539904519968E-02  2.4540280129811E-02  0.0000000000000E+00
   334  3.3300000000000E+00  2.4369147176255E-02  2.4369514514745E-02  0.0000000000000E+00
   335  3.3400000000000E+00  2.4199559480538E-02  2.4199918758604E-02  0.0000000000000E+00
   336  3.3500000000000E+00  2.4031119311601E-02  2.4031470733789E-02  0.0000000000000E+00
   337  3.3600000000000E+00  2.3863805506740E-02  2.3864149271432E-02  0.0000000000000E+00
   338  3.3700000000000E+00  2.3697597821288E-02  2.3697934120901E-02  0.0000000000000E+00
   339  3.3800000000000E+00  2.3532476889768E-02  2.3532805910961E-02  0.0000000000000E+00
   340  3.3900000000000E+00  2.3368424188601E-02  2.3368746112462E-02  0.0000000000000E+00
   341  3.4000000000000E+00  2.3205422000315E-02  2.3205737002553E-02  0.0000000000000E+00
   342  3.4100000000000E+00  2.3043453379186E-02  2.3043761630304E-02  0.0000000000000E+00
   343  3.4200000000000E+00  2.2882502118259E-02  2.2882803783731E-02  0.0000000000000E+00
   344  3.4300000000000E+00  2.2722552717688E-02  2.2722847958125E-02  0.0000000000000E+00
   345  3.4400000000000E+00  2.2563590354359E-02  2.2563879325668E-02  0.0000000000000E+00
   346  3.4500000000000E+00  2.2405600852707E-02  2.2405883706250E-02  0.0000000000000E+00
   347  3.4600000000000E+00  2.2248570656737E-02  2.2248847539479E-02  0.0000000000000E+00
   348  3.4700000000000E+00  2.2092486803134E-02  2.2092757857787E-02  0.0000000000000E+00
   349  3.4800000000000E+00  2.1937336895480E-02  2.1937602260645E-02  0.0000000000000E+00
   350  3.4900000000000E+00  2.1783109079488E-02  2.1783368889787E-02  0.0000000000000E+00
   351  3.5000000000000E+00  2.1629792019239E-02  2.1630046405446E-02  0.0000000000000E+00
   352  3.5100000000000E+00  2.1477374874370E-02  2.1477623963538E-02  0.0000000000000E+00
   353  3.5200000000000E+00  2.1325847278182E-02  2.1326091193762E-02  0.0000000000000E+00
   354  3.5300000000000E+00  2.1175199316619E-02  2.1175438178580E-02  0.0000000000000E+00
   355  3.5400000000000E+00  2.1025421508110E-02  2.1025655433048E-02  0.0000000000000E+00
   356  3.5500000000000E+00  2.0876504784197E-02  2.0876733885448E-02  0.0000000000000E+00
   357  3.5600000000000E+00  2.0728440470968E-02  2.0728664858709E-02  0.0000000000000E+00
   358  3.5700000000000E+00  2.0581220271218E-02  2.0581440052573E-02  0.0000000000000E+00
   359  3.5800000000000E+00  2.0434836247339E-02  2.0435051526475E-02  0.0000000000000E+00
   360  3.5900000000000E+00  2.0289280804898E-02  2.0289491683119E-02  0.0000000000000E+00
   361  3.6000000000000E+00  2.0144546676877E-02  2.0144753252716E-02  0.0000000000000E+00
   362  3.6100000000000E+00  2.0000626908550E-02  2.0000829277858E-02  0.0000000000000E+00
   363  3.6200000000000E+00  1.9857514842967E-02  1.9857713098999E-02  0.0000000000000E+00
   364  3.6300000000000E+00  1.9715204107038E-02  1.9715398340532E-02  0.0000000000000E+00
   365  3.6400000000000E+00  1.9573688598159E-02  1.9573878897420E-02  0.0000000000000E+00
   366  3.6500000000000E+00  1.9432962471407E-02  1.9433148922381E-02  0.0000000000000E+00
   367  3.6600000000000E+00  1.9293020127230E-02  1.9293202813577E-02  0.0000000000000E+00
   368  3.6700000000000E+00  1.9153856199652E-02  1.9154035202823E-02  0.0000000000000E+00
   369  3.6800000000000E+00  1.9015465544956E-02  1.9015640944256E-02  0.0000000000000E+00
   370  3.6900000000000E+00  1.8877843230825E-02  1.8878015103483E-02  0.0000000000000E+00
   371  3.7000000000000E+00  1.8740984525926E-02  1.8741152947160E-02  0.0000000000000E+00
   372  3.7100000000000E+00  1.8604884889924E-02  1.8605049933002E-02  0.0000000000000E+00
   373  3.7200000000000E+00  1.8469539963902E-02  1.8469701700204E-02  0.0000000000000E+00
   374  3.7300000000000E+00  1.8334945561175E-02  1.8335104060248E-02  0.0000000000000E+00
   375  3.7400000000000E+00  1.8201097658479E-02  1.8201252988098E-02  0.0000000000000E+00
   376  3.7500000000000E+00  1.8067992387529E-02  1.8068144613748E-02  0.0000000000000E+00
   377  3.7600000000000E+00  1.7935626026921E-02  1.7935775214124E-02  0.0000000000000E+00
   378  3.7700000000000E+00  1.7803994994366E-02  1.7804141205324E-02  0.0000000000000E+00
   379  3.7800000000000E+00  1.7673095839256E-02  1.7673239135170E-02  0.0000000000000E+00
   380  3.7900000000000E+00  1.7542925235529E-02  1.7543065676081E-02  0.0000000000000E+00
   381  3.8000000000000E+00  1.7413479974838E-02  1.7413617618233E-02  0.0000000000000E+00
   382  3.8100000000000E+00  1.7284756960002E-02  1.7284891863018E-02  0.0000000000000E+00
   383  3.8200000000000E+00  1.7156753198733E-02  1.7156885416758E-02  0.0000000000000E+00
   384  3.8300000000000E+00  1.7029465797629E-02  1.7029595384706E-02  0.0000000000000E+00
   385  3.8400000000000E+00  1.6902891956415E-02  1.6903018965281E-02  0.0000000000000E+00
   386  3.8500000000000E+00  1.6777028962434E-02  1.6777153444560E-02  0.0000000000000E+00
   387  3.8600000000000E+00  1.6651874185370E-02  1.6651996190994E-02  0.0000000000000E+00
   388  3.8700000000000E+00  1.6527425072192E-02  1.6527544650362E-02  0.0000000000000E+00
   389  3.8800000000000E+00  1.6403679142323E-02  1.6403796340925E-02  0.0000000000000E+00
   390  3.8900000000000E+00  1.6280633983009E-02  1.6280748848805E-02  0.0000000000000E+00
   391  3.9000000000000E+00  1.6158287244893E-02  1.6158399823553E-02  0.0000000000000E+00
   392  3.9100000000000E+00  1.6036636637777E-02  1.6036746973911E-02  0.0000000000000E+00
   393  3.9200000000000E+00  1.5915679926575E-02  1.5915788063761E-02  0.0000000000000E+00
   394  3.9300000000000E+00  1.5795414927438E-02  1.5795520908254E-02  0.0000000000000E+00
   395  3.9400000000000E+00  1.5675839504050E-02  1.5675943370103E-02  0.0000000000000E+00
   396  3.9500000000000E+00  1.5556951564094E-02  1.5557053356045E-02  0.0000000000000E+00
   397  3.9600000000000E+00  1.5438749055866E-02  1.5438848813460E-02  0.0000000000000E+00
   398  3.9700000000000E+00  1.5321229965053E-02  1.5321327727142E-02  0.0000000000000E+00
   399  3.9800000000000E+00  1.5204392311646E-02  1.5204488116216E-02  0.0000000000000E+00
   400  3.9900000000000E+00  1.5088234146998E-02  1.5088328031191E-02  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
  Na 11.00    1    3       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
    2    1    6.00
    3    0    1.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    1
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.76154  -2.08564    4    7  11.04266
    1   2.20000  -1.05371    4    7   6.15750
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.20000      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   1.98480
    1    2   3.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    0   0.00000   0.00000
#
# 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):  19 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  24 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.35 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.31 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>