16_S_6_1.8_1.9_pbe_n_v1.0.psp8

S     ONCVPSP-4.0.1  r_core=   1.80696   1.80696   1.90691
     16.0000      6.0000      211017    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  6.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   189  1.8800000000000E+00  6.3862218273870E-03 -1.3652536581397E-02
   190  1.8900000000000E+00  2.5370729096048E-03 -5.3854781817862E-03
   191  1.9000000000000E+00  4.7629581361423E-04 -1.0041029670157E-03
   192  1.9100000000000E+00 -5.3757027693598E-05  1.1281986508959E-04
   193  1.9200000000000E+00  9.2943727991749E-06 -1.9554807269268E-05
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   4
     1  0.0000000000000E+00 -1.0608751163911E+01
     2  1.0000000000000E-02 -1.0607947442191E+01
     3  2.0000000000000E-02 -1.0605536475134E+01
     4  3.0000000000000E-02 -1.0601520463661E+01
     5  4.0000000000000E-02 -1.0595902801545E+01
     6  5.0000000000000E-02 -1.0588688225495E+01
     7  6.0000000000000E-02 -1.0579882801011E+01
     8  7.0000000000000E-02 -1.0569493904370E+01
     9  8.0000000000000E-02 -1.0557530201011E+01
    10  9.0000000000000E-02 -1.0544001620586E+01
    11  1.0000000000000E-01 -1.0528919328895E+01
    12  1.1000000000000E-01 -1.0512295697021E+01
    13  1.2000000000000E-01 -1.0494144267999E+01
    14  1.3000000000000E-01 -1.0474479721286E+01
    15  1.4000000000000E-01 -1.0453317835410E+01
    16  1.5000000000000E-01 -1.0430675449114E+01
    17  1.6000000000000E-01 -1.0406570421302E+01
    18  1.7000000000000E-01 -1.0381021590148E+01
    19  1.8000000000000E-01 -1.0354048731626E+01
    20  1.9000000000000E-01 -1.0325672517774E+01
    21  2.0000000000000E-01 -1.0295914474944E+01
    22  2.1000000000000E-01 -1.0264796942274E+01
    23  2.2000000000000E-01 -1.0232343030622E+01
    24  2.3000000000000E-01 -1.0198576582079E+01
    25  2.4000000000000E-01 -1.0163522130286E+01
    26  2.5000000000000E-01 -1.0127204861646E+01
    27  2.6000000000000E-01 -1.0089650577529E+01
    28  2.7000000000000E-01 -1.0050885657546E+01
    29  2.8000000000000E-01 -1.0010937023921E+01
    30  2.9000000000000E-01 -9.9698321070082E+00
    31  3.0000000000000E-01 -9.9275988119414E+00
    32  3.1000000000000E-01 -9.8842654863665E+00
    33  3.2000000000000E-01 -9.8398608892863E+00
    34  3.3000000000000E-01 -9.7944141608912E+00
    35  3.4000000000000E-01 -9.7479547933944E+00
    36  3.5000000000000E-01 -9.7005126027279E+00
    37  3.6000000000000E-01 -9.6521177010860E+00
    38  3.7000000000000E-01 -9.6028004702139E+00
    39  3.8000000000000E-01 -9.5525915353592E+00
    40  3.9000000000000E-01 -9.5015217398208E+00
    41  4.0000000000000E-01 -9.4496221200190E+00
    42  4.1000000000000E-01 -9.3969238810308E+00
    43  4.2000000000000E-01 -9.3434583725021E+00
    44  4.3000000000000E-01 -9.2892570648489E+00
    45  4.4000000000000E-01 -9.2343515258190E+00
    46  4.5000000000000E-01 -9.1787733972070E+00
    47  4.6000000000000E-01 -9.1225543717774E+00
    48  4.7000000000000E-01 -9.0657261703357E+00
    49  4.8000000000000E-01 -9.0083205189125E+00
    50  4.9000000000000E-01 -8.9503691260319E+00
    51  5.0000000000000E-01 -8.8919036600225E+00
    52  5.1000000000000E-01 -8.8329557263656E+00
    53  5.2000000000000E-01 -8.7735568450266E+00
    54  5.3000000000000E-01 -8.7137384277708E+00
    55  5.4000000000000E-01 -8.6535317553350E+00
    56  5.5000000000000E-01 -8.5929679546019E+00
    57  5.6000000000000E-01 -8.5320779754494E+00
    58  5.7000000000000E-01 -8.4708925675279E+00
    59  5.8000000000000E-01 -8.4094422568440E+00
    60  5.9000000000000E-01 -8.3477573215367E+00
    61  6.0000000000000E-01 -8.2858677679417E+00
    62  6.1000000000000E-01 -8.2238033057551E+00
    63  6.2000000000000E-01 -8.1615933228607E+00
    64  6.3000000000000E-01 -8.0992668596030E+00
    65  6.4000000000000E-01 -8.0368525825607E+00
    66  6.5000000000000E-01 -7.9743787577537E+00
    67  6.6000000000000E-01 -7.9118732234044E+00
    68  6.7000000000000E-01 -7.8493633622817E+00
    69  6.8000000000000E-01 -7.7868760738009E+00
    70  6.9000000000000E-01 -7.7244377460740E+00
    71  7.0000000000000E-01 -7.6620742280955E+00
    72  7.1000000000000E-01 -7.5998108024383E+00
    73  7.2000000000000E-01 -7.5376721588038E+00
    74  7.3000000000000E-01 -7.4756823688372E+00
    75  7.4000000000000E-01 -7.4138648626337E+00
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   451  4.5000000000000E+00  5.8546883690986E-03  5.8550428219787E-03  4.0542733149722E-12
   452  4.5100000000000E+00  5.7492023774810E-03  5.7495506880971E-03  3.7724015355616E-12
   453  4.5200000000000E+00  5.6456606898591E-03  5.6460029679490E-03  3.5101602028637E-12
   454  4.5300000000000E+00  5.5440264308303E-03  5.5443627840965E-03  3.2661797200924E-12
   455  4.5400000000000E+00  5.4442634478211E-03  5.4445939819702E-03  3.0391862270289E-12
   456  4.5500000000000E+00  5.3463362964505E-03  5.3466611152317E-03  2.8279948698433E-12
   457  4.5600000000000E+00  5.2502102262018E-03  5.2505294314449E-03  2.6315036364648E-12
   458  4.5700000000000E+00  5.1558511663833E-03  5.1561648580356E-03  2.4486874892633E-12
   459  4.5800000000000E+00  5.0632257123851E-03  5.0635339885481E-03  2.2785929979523E-12
   460  4.5900000000000E+00  4.9723011122211E-03  4.9726040691856E-03  2.1203333517698E-12
   461  4.6000000000000E+00  4.8830452533443E-03  4.8833429856256E-03  1.9730836526075E-12
   462  4.6100000000000E+00  4.7954266497414E-03  4.7957192501136E-03  1.8360766152683E-12
   463  4.6200000000000E+00  4.7094144292913E-03  4.7097019888204E-03  1.7085985323760E-12
   464  4.6300000000000E+00  4.6249783213839E-03  4.6252609294608E-03  1.5899855012670E-12
   465  4.6400000000000E+00  4.5420886448002E-03  4.5423663891729E-03  1.4796199776755E-12
   466  4.6500000000000E+00  4.4607162958381E-03  4.4609892626431E-03  1.3769275101024E-12
   467  4.6600000000000E+00  4.3808327366850E-03  4.3811010104784E-03  1.2813737178580E-12
   468  4.6700000000000E+00  4.3024099840358E-03  4.3026736478231E-03  1.1924615246658E-12
   469  4.6800000000000E+00  4.2254205979385E-03  4.2256797332047E-03  1.1097285168255E-12
   470  4.6900000000000E+00  4.1498376708756E-03  4.1500923576141E-03  1.0327445298312E-12
   471  4.7000000000000E+00  4.0756348170721E-03  4.0758851338132E-03  9.6110941114213E-13
   472  4.7100000000000E+00  4.0027861620198E-03  4.0030321858582E-03  8.9445089908144E-13
   473  4.7200000000000E+00  3.9312663322219E-03  3.9315081388448E-03  8.3242268771690E-13
   474  4.7300000000000E+00  3.8610504451498E-03  3.8612881088629E-03  7.7470261814871E-13
   475  4.7400000000000E+00  3.7921140994031E-03  3.7923476931577E-03  7.2099097620343E-13
   476  4.7500000000000E+00  3.7244333650786E-03  3.7246629604964E-03  6.7100894029111E-13
   477  4.7600000000000E+00  3.6579847743337E-03  3.6582104417328E-03  6.2449711879355E-13
   478  4.7700000000000E+00  3.5927453121453E-03  3.5929671205646E-03  5.8121418418141E-13
   479  4.7800000000000E+00  3.5286924072621E-03  3.5289104244855E-03  5.4093562758094E-13
   480  4.7900000000000E+00  3.4658039233401E-03  3.4660182159205E-03  5.0345257601641E-13
   481  4.8000000000000E+00  3.4040581502615E-03  3.4042687835436E-03  4.6857069654007E-13
   482  4.8100000000000E+00  3.3434337956355E-03  3.3436408337793E-03  4.3610919650412E-13
   483  4.8200000000000E+00  3.2839099764701E-03  3.2841134824727E-03  4.0589986712466E-13
   484  4.8300000000000E+00  3.2254662110163E-03  3.2256662467341E-03  3.7778620477919E-13
   485  4.8400000000000E+00  3.1680824107843E-03  3.1682790369545E-03  3.5162260701660E-13
   486  4.8500000000000E+00  3.1117388727177E-03  3.1119321489792E-03  3.2727360026487E-13
   487  4.8600000000000E+00  3.0564162715320E-03  3.0566062564462E-03  3.0461313573914E-13
   488  4.8700000000000E+00  3.0020956522124E-03  3.0022824032834E-03  2.8352394036666E-13
   489  4.8800000000000E+00  2.9487584226611E-03  2.9489419963555E-03  2.6389689576861E-13
   490  4.8900000000000E+00  2.8963863464987E-03  2.8965667982653E-03  2.4563047264016E-13
   491  4.9000000000000E+00  2.8449615360144E-03  2.8451389203032E-03  2.2863020703173E-13
   492  4.9100000000000E+00  2.7944664452572E-03  2.7946408155376E-03  2.1280820093520E-13
   493  4.9200000000000E+00  2.7448838632711E-03  2.7450552720511E-03  1.9808266775048E-13
   494  4.9300000000000E+00  2.6961969074705E-03  2.6963654063140E-03  1.8437750979852E-13
   495  4.9400000000000E+00  2.6483890171471E-03  2.6485546566918E-03  1.7162191662913E-13
   496  4.9500000000000E+00  2.6014439471132E-03  2.6016067770879E-03  1.5974999962435E-13
   497  4.9600000000000E+00  2.5553457614749E-03  2.5555058307164E-03  1.4870045128590E-13
   498  4.9700000000000E+00  2.5100788275299E-03  2.5102361839997E-03  1.3841622205750E-13
   499  4.9800000000000E+00  2.4656278097933E-03  2.4657825005937E-03  1.2884422647128E-13
   500  4.9900000000000E+00  2.4219776641443E-03  2.4221297355345E-03  1.1993506849982E-13
   501  5.0000000000000E+00  2.3791136320909E-03  2.3792631295028E-03  1.1164278145793E-13
   502  5.0100000000000E+00  2.3370212351539E-03  2.3371682032071E-03  1.0392459158662E-13
   503  5.0200000000000E+00  2.2956862693651E-03  2.2958307518823E-03  9.6740696776892E-14
   504  5.0300000000000E+00  2.2550947998752E-03  2.2552368398969E-03  9.0054057153542E-14
   505  5.0400000000000E+00  2.2152331556747E-03  2.2153727954737E-03  8.3830204785192E-14
   506  5.0500000000000E+00  2.1760879244217E-03  2.1762252055170E-03  7.8037065519828E-14
   507  5.0600000000000E+00  2.1376459473719E-03  2.1377809105432E-03  7.2644790296532E-14
   508  5.0700000000000E+00  2.0998943144156E-03  2.1000269997164E-03  6.7625601908271E-14
   509  5.0800000000000E+00  2.0628203592144E-03  2.0629508059858E-03  6.2953651653042E-14
   510  5.0900000000000E+00  2.0264116544341E-03  2.0265399013177E-03  5.8604883383371E-14
   511  5.1000000000000E+00  1.9906560070780E-03  1.9907820920289E-03  5.4556910041725E-14
   512  5.1100000000000E+00  1.9555414539135E-03  1.9556654142129E-03  5.0788898418061E-14
   513  5.1200000000000E+00  1.9210562569895E-03  1.9211781292572E-03  4.7281459523886E-14
   514  5.1300000000000E+00  1.8871888992471E-03  1.8873087194535E-03  4.4016549057919E-14
   515  5.1400000000000E+00  1.8539280802193E-03  1.8540458836973E-03  4.0977374843259E-14
   516  5.1500000000000E+00  1.8212627118143E-03  1.8213785332714E-03  3.8148308378851E-14
   517  5.1600000000000E+00  1.7891819141875E-03  1.7892957877166E-03  3.5514804546071E-14
   518  5.1700000000000E+00  1.7576750116966E-03  1.7577869707879E-03  3.3063327335480E-14
   519  5.1800000000000E+00  1.7267315289355E-03  1.7268416064872E-03  3.0781278444460E-14
   520  5.1900000000000E+00  1.6963411868507E-03  1.6964494151798E-03  2.8656932460693E-14
   521  5.2000000000000E+00  1.6664938989365E-03  1.6666003097896E-03  2.6679377326547E-14
   522  5.2100000000000E+00  1.6371797675041E-03  1.6372843920677E-03  2.4838456666834E-14
   523  5.2200000000000E+00  1.6083890800271E-03  1.6084919489378E-03  2.3124717427845E-14
   524  5.2300000000000E+00  1.5801123055626E-03  1.5802134489173E-03  2.1529362205071E-14
   525  5.2400000000000E+00  1.5523400912408E-03  1.5524395386063E-03  2.0044202617672E-14
   526  5.2500000000000E+00  1.5250632588255E-03  1.5251610392485E-03  1.8661617084510E-14
   527  5.2600000000000E+00  1.4982728013476E-03  1.4983689433638E-03  1.7374512476059E-14
   528  5.2700000000000E+00  1.4719598798009E-03  1.4720544114443E-03  1.6176286599608E-14
   529  5.2800000000000E+00  1.4461158199059E-03  1.4462087687182E-03  1.5060794115931E-14
   530  5.2900000000000E+00  1.4207321089410E-03  1.4208235019802E-03  1.4022315541320E-14
   531  5.3000000000000E+00  1.3958003926329E-03  1.3958902564825E-03  1.3055527247930E-14
   532  5.3100000000000E+00  1.3713124721114E-03  1.3714008328886E-03  1.2155473858777E-14
   533  5.3200000000000E+00  1.3472603009254E-03  1.3473471842897E-03  1.1317543175878E-14
   534  5.3300000000000E+00  1.3236359821176E-03  1.3237214132791E-03  1.0537442235912E-14
   535  5.3400000000000E+00  1.3004317653564E-03  1.3005157690839E-03  9.8111749325146E-15
   536  5.3500000000000E+00  1.2776400441275E-03  1.2777226447565E-03  9.1350217127906E-15
   537  5.3600000000000E+00  1.2552533529800E-03  1.2553345744206E-03  8.5055205028704E-15
   538  5.3700000000000E+00  1.2332643648266E-03  1.2333442305708E-03  7.9194485544487E-15
   539  5.3800000000000E+00  1.2116658882978E-03  1.2117444214277E-03  7.3738059825815E-15
   540  5.3900000000000E+00  1.1904508651512E-03  1.1905280883456E-03  6.8658005977018E-15
   541  5.4000000000000E+00  1.1696123677274E-03  1.1696883032698E-03  6.3928331720332E-15
   542  5.4100000000000E+00  1.1491435964597E-03  1.1492182662450E-03  5.9524840768633E-15
   543  5.4200000000000E+00  1.1290378774339E-03  1.1291113029754E-03  5.5425012377101E-15
   544  5.4300000000000E+00  1.1092886599929E-03  1.1093608624293E-03  5.1607881535871E-15
   545  5.4400000000000E+00  1.0898895143908E-03  1.0899605144928E-03  4.8053931485460E-15
   546  5.4500000000000E+00  1.0708341294946E-03  1.0709039476716E-03  4.4744995972924E-15
   547  5.4600000000000E+00  1.0521163105287E-03  1.0521849668352E-03  4.1664164004819E-15
   548  5.4700000000000E+00  1.0337299768646E-03  1.0337974910067E-03  3.8795692403474E-15
   549  5.4800000000000E+00  1.0156691598556E-03  1.0157355511970E-03  3.6124926371008E-15
   550  5.4900000000000E+00  9.9792800071318E-04  9.9799328828138E-04  3.3638224147103E-15
   551  5.5000000000000E+00  9.8050074842383E-04  9.8056495091639E-04  3.1322885734671E-15
   552  5.5100000000000E+00  9.6338175770895E-04  9.6344489349911E-04  2.9167088236700E-15
   553  5.5200000000000E+00  9.4656548702466E-04  9.4662757416723E-04  2.7159826413572E-15
   554  5.5300000000000E+00  9.3004649659899E-04  9.3010755283600E-04  2.5290854542347E-15
   555  5.5400000000000E+00  9.1381944650863E-04  9.1387948927496E-04  2.3550633865572E-15
   556  5.5500000000000E+00  8.9787909479517E-04  8.9793814122395E-04  2.1930285437852E-15
   557  5.5600000000000E+00  8.8222029561495E-04  8.8227836254302E-04  2.0421542934998E-15
   558  5.5700000000000E+00  8.6683799742677E-04  8.6689510139988E-04  1.9016710326343E-15
   559  5.5800000000000E+00  8.5172724121581E-04  8.5178339849385E-04  1.7708623331473E-15
   560  5.5900000000000E+00  8.3688315875104E-04  8.3693838531307E-04  1.6490612324233E-15
   561  5.6000000000000E+00  8.2230097087634E-04  8.2235528242564E-04  1.5356467673852E-15
   562  5.6100000000000E+00  8.0797598583597E-04  8.0802939780487E-04  1.4300408250570E-15
   563  5.6200000000000E+00  7.9390359763290E-04  7.9395612518764E-04  1.3317052359401E-15
   564  5.6300000000000E+00  7.8007928441739E-04  7.8013094246280E-04  1.2401389369240E-15
   565  5.6400000000000E+00  7.6649860690785E-04  7.6654941009202E-04  1.1556367258677E-15
   566  5.6500000000000E+00  7.5315720684393E-04  7.5320716956271E-04  1.0765360271130E-15
   567  5.6600000000000E+00  7.4005080546686E-04  7.4009994186836E-04  1.0020503950372E-15
   568  5.6700000000000E+00  7.2717520203057E-04  7.2722352601953E-04  9.2844809186991E-16
   569  5.6800000000000E+00  7.1452627234248E-04  7.1457379758456E-04  8.5910875842353E-16
   570  5.6900000000000E+00  7.0209996733159E-04  7.0214670725761E-04  8.0106314659249E-16
   571  5.7000000000000E+00  6.8989231164387E-04  6.8993827945395E-04  7.5833146118120E-16
   572  5.7100000000000E+00  6.7789940226552E-04  6.7794461093315E-04  7.3791773081648E-16
   573  5.7200000000000E+00  6.6611740717373E-04  6.6616186944974E-04  7.0060326301020E-16
   574  5.7300000000000E+00  6.5454256401121E-04  6.5458629242774E-04  6.2546945036527E-16
   575  5.7400000000000E+00  6.4317117878759E-04  6.4321418566191E-04  4.7536669103223E-16
   576  5.7500000000000E+00  6.3199962460675E-04  6.3204192204506E-04  2.8605378237921E-16
   577  5.7600000000000E+00  6.2102434041702E-04  6.2106594031813E-04  1.0456616348168E-16
   578  5.7700000000000E+00  6.1024182978584E-04  6.1028274384485E-04 -2.1036449998978E-17
   579  5.7800000000000E+00  5.9964865969848E-04  5.9968889941034E-04 -5.6962626305639E-17
   580  5.7900000000000E+00  5.8924145938019E-04  5.8928103604322E-04 -4.3824911396215E-17
   581  5.8000000000000E+00  5.7901691913943E-04  5.7905584385878E-04 -6.0801619167434E-18
   582  5.8100000000000E+00  5.6897178923417E-04  5.6901007292519E-04  1.0844831108789E-17
   583  5.8200000000000E+00  5.5910287876101E-04  5.5914053215258E-04  1.3539767821135E-17
   584  5.8300000000000E+00  5.4940705456361E-04  5.4944408820142E-04  7.2081671447656E-18
   585  5.8400000000000E+00  5.3988124016282E-04  5.3991766441256E-04  3.2220703815428E-20
   586  5.8500000000000E+00  5.3052241470767E-04  5.3055823975818E-04 -9.6673305098901E-19
   587  5.8600000000000E+00  5.2132761194641E-04  5.2136284781280E-04 -7.8809999112429E-19
   588  5.8700000000000E+00  5.1229391921618E-04  5.1232857574282E-04  2.6566506893404E-19
   589  5.8800000000000E+00  5.0341847645246E-04  5.0345256331601E-04  4.2903148154912E-19
   590  5.8900000000000E+00  4.9469847521863E-04  4.9473200193096E-04  3.9524775014181E-19
   591  5.9000000000000E+00  4.8613115775207E-04  4.8616413366308E-04  3.6412594078074E-19
   592  5.9100000000000E+00  4.7771381602919E-04  4.7774625032971E-04  3.3545616638059E-19
   593  5.9200000000000E+00  4.6944379084856E-04  4.6947569257308E-04  3.0904509782309E-19
   594  5.9300000000000E+00  4.6131847093169E-04  4.6134984896108E-04  2.8471470175413E-19
   595  5.9400000000000E+00  4.5333529203960E-04  4.5336615510383E-04  2.6230096141176E-19
   596  5.9500000000000E+00  4.4549173610700E-04  4.4552209278769E-04  2.4165277068425E-19
   597  5.9600000000000E+00  4.3778533039360E-04  4.3781518912668E-04  2.2263098443385E-19
   598  5.9700000000000E+00  4.3021364665014E-04  4.3024301572833E-04  2.0510742480120E-19
   599  5.9800000000000E+00  4.2277430030066E-04  4.2280318787599E-04  1.8896400746481E-19
   600  5.9900000000000E+00  4.1546494964049E-04  4.1549336372670E-04  1.7409195189474E-19
<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
  S 16.00    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    4.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.80000   0.00000    4    8   6.00000
    1   1.80000   0.00000    4    8   7.50000
    2   1.90000   0.10000    4    8   7.50000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.08387      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.00000
    1    2   2.00000
    2    2   1.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   6.00000   1.25000
#
# 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):  15 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  20 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.39 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.34 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>