82_Pb_14_3.0_3.1_pbe_n_v1.0.psp8

Pb    ONCVPSP-4.0.1  r_core=   3.11114   2.96576   3.11114
     82.0000     14.0000      220801    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
   0                         5.3053872983048E+00  8.5966622958506E-01
     1  0.0000000000000E+00  2.9523605782344E-13 -5.1630921760193E-13
     2  1.0000000000000E-02  2.4262153516234E-02 -1.3865654711338E-02
     3  2.0000000000000E-02  4.8510328903298E-02 -2.7707740039756E-02
     4  3.0000000000000E-02  7.2730562398421E-02 -4.1502726051694E-02
     5  4.0000000000000E-02  9.6908918958470E-02 -5.5227161659655E-02
     6  5.0000000000000E-02  1.2103150658683E-01 -6.8857713913439E-02
     7  6.0000000000000E-02  1.4508449062049E-01 -8.2371207132871E-02
     8  7.0000000000000E-02  1.6905410796387E-01 -9.5744661828554E-02
     9  8.0000000000000E-02  1.9292668125523E-01 -1.0895533335673E-01
    10  9.0000000000000E-02  2.1668863295174E-01 -1.2198075025362E-01
    11  1.0000000000000E-01  2.4032649931819E-01 -1.3479875219401E-01
    12  1.1000000000000E-01  2.6382694430440E-01 -1.4738752751789E-01
    13  1.2000000000000E-01  2.8717677329554E-01 -1.5972565026822E-01
    14  1.3000000000000E-01  3.1036294671894E-01 -1.7179211668181E-01
    15  1.4000000000000E-01  3.3337259349072E-01 -1.8356638107431E-01
    16  1.5000000000000E-01  3.5619302428436E-01 -1.9502839105934E-01
    17  1.6000000000000E-01  3.7881174460328E-01 -2.0615862204072E-01
    18  1.7000000000000E-01  4.0121646763809E-01 -2.1693811091557E-01
    19  1.8000000000000E-01  4.2339512688927E-01 -2.2734848892531E-01
    20  1.9000000000000E-01  4.4533588853455E-01 -2.3737201359027E-01
    21  2.0000000000000E-01  4.6702716352028E-01 -2.4699159966316E-01
    22  2.1000000000000E-01  4.8845761935483E-01 -2.5619084903535E-01
    23  2.2000000000000E-01  5.0961619158191E-01 -2.6495407952961E-01
    24  2.3000000000000E-01  5.3049209491083E-01 -2.7326635251222E-01
    25  2.4000000000000E-01  5.5107483398021E-01 -2.8111349925708E-01
    26  2.5000000000000E-01  5.7135421373145E-01 -2.8848214599409E-01
    27  2.6000000000000E-01  5.9132034936752E-01 -2.9535973757414E-01
    28  2.7000000000000E-01  6.1096367587251E-01 -3.0173455968343E-01
    29  2.8000000000000E-01  6.3027495706732E-01 -3.0759575954008E-01
    30  2.9000000000000E-01  6.4924529417641E-01 -3.1293336500670E-01
    31  3.0000000000000E-01  6.6786613388087E-01 -3.1773830205399E-01
    32  3.1000000000000E-01  6.8612927583299E-01 -3.2200241051130E-01
    33  3.2000000000000E-01  7.0402687960786E-01 -3.2571845804194E-01
    34  3.3000000000000E-01  7.2155147106788E-01 -3.2888015228311E-01
    35  3.4000000000000E-01  7.3869594811658E-01 -3.3148215109234E-01
    36  3.5000000000000E-01  7.5545358581887E-01 -3.3352007084534E-01
    37  3.6000000000000E-01  7.7181804086555E-01 -3.3499049273281E-01
    38  3.7000000000000E-01  7.8778335536111E-01 -3.3589096700756E-01
    39  3.8000000000000E-01  8.0334395991461E-01 -3.3622001513677E-01
    40  3.9000000000000E-01  8.1849467601515E-01 -3.3597712981840E-01
    41  4.0000000000000E-01  8.3323071767447E-01 -3.3516277282532E-01
    42  4.1000000000000E-01  8.4754769232126E-01 -3.3377837064581E-01
    43  4.2000000000000E-01  8.6144160093303E-01 -3.3182630789373E-01
    44  4.3000000000000E-01  8.7490883739365E-01 -3.2930991846802E-01
    45  4.4000000000000E-01  8.8794618706670E-01 -3.2623347444642E-01
    46  4.5000000000000E-01  9.0055082457682E-01 -3.2260217270506E-01
    47  4.6000000000000E-01  9.1272031079364E-01 -3.1842211926197E-01
    48  4.7000000000000E-01  9.2445258901545E-01 -3.1370031134913E-01
    49  4.8000000000000E-01  9.3574598035230E-01 -3.0844461722553E-01
    50  4.9000000000000E-01  9.4659917831085E-01 -3.0266375375011E-01
    51  5.0000000000000E-01  9.5701124258629E-01 -2.9636726174211E-01
    52  5.1000000000000E-01  9.6698159206934E-01 -2.8956547916308E-01
    53  5.2000000000000E-01  9.7650999707956E-01 -2.8226951216381E-01
    54  5.3000000000000E-01  9.8559657083909E-01 -2.7449120404652E-01
    55  5.4000000000000E-01  9.9424176020405E-01 -2.6624310220158E-01
    56  5.5000000000000E-01  1.0024463356742E+00 -2.5753842308576E-01
    57  5.6000000000000E-01  1.0102113807043E+00 -2.4839101531769E-01
    58  5.7000000000000E-01  1.0175382803443E+00 -2.3881532097387E-01
    59  5.8000000000000E-01  1.0244287092377E+00 -2.2882633517736E-01
    60  5.9000000000000E-01  1.0308846190122E+00 -2.1843956407884E-01
    61  6.0000000000000E-01  1.0369082250978E+00 -2.0767098133782E-01
    62  6.1000000000000E-01  1.0425019930131E+00 -1.9653698321975E-01
    63  6.2000000000000E-01  1.0476686241601E+00 -1.8505434243168E-01
    64  6.3000000000000E-01  1.0524110411750E+00 -1.7324016082713E-01
    65  6.4000000000000E-01  1.0567323728811E+00 -1.6111182111683E-01
    66  6.5000000000000E-01  1.0606359388955E+00 -1.4868693772951E-01
    67  6.6000000000000E-01  1.0641252339422E+00 -1.3598330697224E-01
    68  6.7000000000000E-01  1.0672039119276E+00 -1.2301885664589E-01
    69  6.8000000000000E-01  1.0698757698352E+00 -1.0981159527663E-01
    70  6.9000000000000E-01  1.0721447314999E+00 -9.6379561128725E-02
    71  7.0000000000000E-01  1.0740148313229E+00 -8.2740771168314E-02
    72  7.1000000000000E-01  1.0754901979897E+00 -6.8913170151299E-02
    73  7.2000000000000E-01  1.0765750382559E+00 -5.4914580011400E-02
    74  7.3000000000000E-01  1.0772736208661E+00 -4.0762649726588E-02
    75  7.4000000000000E-01  1.0775902606708E+00 -2.6474805844032E-02
    76  7.5000000000000E-01  1.0775293030090E+00 -1.2068203844101E-02
    77  7.6000000000000E-01  1.0770951084218E+00  2.4403194756976E-03
    78  7.7000000000000E-01  1.0762920377650E+00  1.7034292416222E-02
    79  7.8000000000000E-01  1.0751244377857E+00  3.1697653413196E-02
    80  7.9000000000000E-01  1.0735966272280E+00  4.6414794517642E-02
    81  8.0000000000000E-01  1.0717128835344E+00  6.1170603146558E-02
    82  8.1000000000000E-01  1.0694774302024E+00  7.5950501933973E-02
    83  8.2000000000000E-01  1.0668944248616E+00  9.0740486516477E-02
    84  8.3000000000000E-01  1.0639679481270E+00  1.0552716109374E-01
    85  8.4000000000000E-01  1.0607019932893E+00  1.2029777160915E-01
    86  8.5000000000000E-01  1.0571004568931E+00  1.3504023640444E-01
    87  8.6000000000000E-01  1.0531671302579E+00  1.4974317420799E-01
    88  8.7000000000000E-01  1.0489056919882E+00  1.6439592932638E-01
    89  8.8000000000000E-01  1.0443197015181E+00  1.7898859391699E-01
    90  8.9000000000000E-01  1.0394125937325E+00  1.9351202722985E-01
    91  9.0000000000000E-01  1.0341876747009E+00  2.0795787171701E-01
    92  9.1000000000000E-01  1.0286481185567E+00  2.2231856591890E-01
    93  9.2000000000000E-01  1.0227969655515E+00  2.3658735404953E-01
    94  9.3000000000000E-01  1.0166371213062E+00  2.5075829221349E-01
    95  9.4000000000000E-01  1.0101713572786E+00  2.6482625120145E-01
    96  9.5000000000000E-01  1.0034023124600E+00  2.7878691582379E-01
    97  9.6000000000000E-01  9.9633249631052E-01  2.9263678075559E-01
    98  9.7000000000000E-01  9.8896429293266E-01  3.0637314287998E-01
    99  9.8000000000000E-01  9.8129996648344E-01  3.1999409013195E-01
   100  9.9000000000000E-01  9.7334166781376E-01  3.3349848685826E-01
   101  1.0000000000000E+00  9.6509144232186E-01  3.4688595572434E-01
   102  1.0100000000000E+00  9.5655123899986E-01  3.6015685621380E-01
   103  1.0200000000000E+00  9.4772292064741E-01  3.7331225978125E-01
   104  1.0300000000000E+00  9.3860827522034E-01  3.8635392173306E-01
   105  1.0400000000000E+00  9.2920902827633E-01  3.9928424992686E-01
   106  1.0500000000000E+00  9.1952685647416E-01  4.1210627039375E-01
   107  1.0600000000000E+00  9.0956340207702E-01  4.2482359000239E-01
   108  1.0700000000000E+00  8.9932028840524E-01  4.3744035629797E-01
   109  1.0800000000000E+00  8.8879913617811E-01  4.4996121466238E-01
   110  1.0900000000000E+00  8.7800158067929E-01  4.6239126295594E-01
   111  1.1000000000000E+00  8.6692928967544E-01  4.7473600381263E-01
   112  1.1100000000000E+00  8.5558398201271E-01  4.8700129477397E-01
   113  1.1200000000000E+00  8.4396744681125E-01  4.9919329645761E-01
   114  1.1300000000000E+00  8.3208156317374E-01  5.1131841896752E-01
   115  1.1400000000000E+00  8.1992832031990E-01  5.2338326676291E-01
   116  1.1500000000000E+00  8.0750983805516E-01  5.3539458221221E-01
   117  1.1600000000000E+00  7.9482838747889E-01  5.4735918806630E-01
   118  1.1700000000000E+00  7.8188641183407E-01  5.5928392909352E-01
   119  1.1800000000000E+00  7.6868654739825E-01  5.7117561312434E-01
   120  1.1900000000000E+00  7.5523164431336E-01  5.8304095175965E-01
   121  1.2000000000000E+00  7.4152478725038E-01  5.9488650100098E-01
   122  1.2100000000000E+00  7.2756931580344E-01  6.0671860206366E-01
   123  1.2200000000000E+00  7.1336884450761E-01  6.1854332263664E-01
   124  1.2300000000000E+00  6.9892728237386E-01  6.3036639885312E-01
   125  1.2400000000000E+00  6.8424885183519E-01  6.4219317823654E-01
   126  1.2500000000000E+00  6.6933810699859E-01  6.5402856388406E-01
   127  1.2600000000000E+00  6.5419995109853E-01  6.6587696014825E-01
   128  1.2700000000000E+00  6.3883965304953E-01  6.7774222007259E-01
   129  1.2800000000000E+00  6.2326286299728E-01  6.8962759483254E-01
   130  1.2900000000000E+00  6.0747562677084E-01  7.0153568542640E-01
   131  1.3000000000000E+00  5.9148439914116E-01  7.1346839685402E-01
   132  1.3100000000000E+00  5.7529605579514E-01  7.2542689501155E-01
   133  1.3200000000000E+00  5.5891790393836E-01  7.3741156652141E-01
   134  1.3300000000000E+00  5.4235769144426E-01  7.4942198170567E-01
   135  1.3400000000000E+00  5.2562361447256E-01  7.6145686089826E-01
   136  1.3500000000000E+00  5.0872432348522E-01  7.7351404427962E-01
   137  1.3600000000000E+00  4.9166892759393E-01  7.8559046540206E-01
   138  1.3700000000000E+00  4.7446699717964E-01  7.9768212855976E-01
   139  1.3800000000000E+00  4.5712856473105E-01  8.0978409014149E-01
   140  1.3900000000000E+00  4.3966412385606E-01  8.2189044408683E-01
   141  1.4000000000000E+00  4.2208462642758E-01  8.3399431154943E-01
   142  1.4100000000000E+00  4.0440147783238E-01  8.4608783485302E-01
   143  1.4200000000000E+00  3.8662653029992E-01  8.5816217580597E-01
   144  1.4300000000000E+00  3.6877207429586E-01  8.7020751842203E-01
   145  1.4400000000000E+00  3.5085082797341E-01  8.8221307607391E-01
   146  1.4500000000000E+00  3.3287592468406E-01  8.9416710308692E-01
   147  1.4600000000000E+00  3.1486089855772E-01  9.0605691075891E-01
   148  1.4700000000000E+00  2.9681966817116E-01  9.1786888777207E-01
   149  1.4800000000000E+00  2.7876651833208E-01  9.2958852494157E-01
   150  1.4900000000000E+00  2.6071608001507E-01  9.4120044422459E-01
   151  1.5000000000000E+00  2.4268330849426E-01  9.5268843189352E-01
   152  1.5100000000000E+00  2.2468345972614E-01  9.6403547575511E-01
   153  1.5200000000000E+00  2.0673206504454E-01  9.7522380627881E-01
   154  1.5300000000000E+00  1.8884490423807E-01  9.8623494147571E-01
   155  1.5400000000000E+00  1.7103797708848E-01  9.9704973535194E-01
   156  1.5500000000000E+00  1.5332747345640E-01  1.0076484297400E+00
   157  1.5600000000000E+00  1.3572974200854E-01  1.0180107092942E+00
   158  1.5700000000000E+00  1.1826125768775E-01  1.0281157594187E+00
   159  1.5800000000000E+00  1.0093858803449E-01  1.0379423268799E+00
   160  1.5900000000000E+00  8.3778358474623E-02  1.0474687828396E+00
   161  1.6000000000000E+00  6.6797216695061E-02  1.0566731880306E+00
   162  1.6100000000000E+00  5.0011796234096E-02  1.0655333597832E+00
   163  1.6200000000000E+00  3.3438679418988E-02  1.0740269405972E+00
   164  1.6300000000000E+00  1.7094359787683E-02  1.0821314679464E+00
   165  1.6400000000000E+00  9.9520413624827E-04  1.0898244449884E+00
   166  1.6500000000000E+00 -1.4842585663175E-02  1.0970834118477E+00
   167  1.6600000000000E+00 -3.0403010925714E-02  1.1038860171319E+00
   168  1.6700000000000E+00 -4.5670314347929E-02  1.1102100893347E+00
   169  1.6800000000000E+00 -6.0629017980476E-02  1.1160337077766E+00
   170  1.6900000000000E+00 -7.5263960825666E-02  1.1213352727314E+00
   171  1.7000000000000E+00 -8.9560335906051E-02  1.1260935743861E+00
   172  1.7100000000000E+00 -1.0350372665003E-01  1.1302878602828E+00
   173  1.7200000000000E+00 -1.1708014244152E-01  1.1338979008922E+00
   174  1.7300000000000E+00 -1.3027605318233E-01  1.1369040529758E+00
   175  1.7400000000000E+00 -1.4307842271773E-01  1.1392873203973E+00
   176  1.7500000000000E+00 -1.5547474097917E-01  1.1410294120500E+00
   177  1.7600000000000E+00 -1.6745305470114E-01  1.1421127965807E+00
   178  1.7700000000000E+00 -1.7900199657391E-01  1.1425207535968E+00
   179  1.7800000000000E+00 -1.9011081269836E-01  1.1422374210580E+00
   180  1.7900000000000E+00 -2.0076938821525E-01  1.1412478385673E+00
   181  1.8000000000000E+00 -2.1096827098689E-01  1.1395379862914E+00
   182  1.8100000000000E+00 -2.2069869321640E-01  1.1370948192583E+00
   183  1.8200000000000E+00 -2.2995259089725E-01  1.1339062967964E+00
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   185  1.8400000000000E+00 -2.4700217625890E-01  1.1252501853311E+00
   186  1.8500000000000E+00 -2.5478539761583E-01  1.1197637292736E+00
   187  1.8600000000000E+00 -2.6206718401701E-01  1.1134942054095E+00
   188  1.8700000000000E+00 -2.6884319973196E-01  1.1064348522744E+00
   189  1.8800000000000E+00 -2.7510987899374E-01  1.0985799766834E+00
   190  1.8900000000000E+00 -2.8086442794434E-01  1.0899249440085E+00
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   192  1.9100000000000E+00 -2.9082981282594E-01  1.0702010718510E+00
   193  1.9200000000000E+00 -2.9503892104881E-01  1.0591283302210E+00
   194  1.9300000000000E+00 -2.9873250812384E-01  1.0472484386076E+00
   195  1.9400000000000E+00 -3.0191179468068E-01  1.0345640057076E+00
   196  1.9500000000000E+00 -3.0457886718204E-01  1.0210797305452E+00
   197  1.9600000000000E+00 -3.0673668268174E-01  1.0068024146590E+00
   198  1.9700000000000E+00 -3.0838907032149E-01  9.9174095864642E-01
   199  1.9800000000000E+00 -3.0954073023220E-01  9.7590635261074E-01
   200  1.9900000000000E+00 -3.1019722983355E-01  9.5931166032965E-01
   201  2.0000000000000E+00 -3.1036499753123E-01  9.4197199706704E-01
   202  2.0100000000000E+00 -3.1005131382754E-01  9.2390450108079E-01
   203  2.0200000000000E+00 -3.0926429986794E-01  9.0512829888600E-01
   204  2.0300000000000E+00 -3.0801290345407E-01  8.8566446435753E-01
   205  2.0400000000000E+00 -3.0630688256483E-01  8.6553597180154E-01
   206  2.0500000000000E+00 -3.0415678642939E-01  8.4476764309741E-01
   207  2.0600000000000E+00 -3.0157393420852E-01  8.2338608907191E-01
   208  2.0700000000000E+00 -2.9857039134538E-01  8.0141964526639E-01
   209  2.0800000000000E+00 -2.9515894365352E-01  7.7889830226586E-01
   210  2.0900000000000E+00 -2.9135306922027E-01  7.5585363080929E-01
   211  2.1000000000000E+00 -2.8716690820731E-01  7.3231870188609E-01
   212  2.1100000000000E+00 -2.8261523063688E-01  7.0832800204369E-01
   213  2.1200000000000E+00 -2.7771340226009E-01  6.8391734416003E-01
   214  2.1300000000000E+00 -2.7247734861010E-01  6.5912377395001E-01
   215  2.1400000000000E+00 -2.6692351734604E-01  6.3398547246988E-01
   216  2.1500000000000E+00 -2.6106883899984E-01  6.0854165490464E-01
   217  2.1600000000000E+00 -2.5493068624578E-01  5.8283246595270E-01
   218  2.1700000000000E+00 -2.4852683181452E-01  5.5689887211449E-01
   219  2.1800000000000E+00 -2.4187540517668E-01  5.3078255119483E-01
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   577  5.7600000000000E+00  3.5183876218066E-03  3.5184863789782E-03  6.8342279886739E-11
   578  5.7700000000000E+00  3.4749295848847E-03  3.4750270678748E-03  6.4795588124833E-11
   579  5.7800000000000E+00  3.4320248262202E-03  3.4321210529774E-03  6.1433239910466E-11
   580  5.7900000000000E+00  3.3896659866082E-03  3.3897609747978E-03  5.8245639852695E-11
   581  5.8000000000000E+00  3.3478458102918E-03  3.3479395773006E-03  5.5223691128533E-11
   582  5.8100000000000E+00  3.3065571434166E-03  3.3066497063581E-03  5.2358771318487E-11
   583  5.8200000000000E+00  3.2657929325090E-03  3.2658843082282E-03  4.9642707721175E-11
   584  5.8300000000000E+00  3.2255462229786E-03  3.2256364280565E-03  4.7067753590997E-11
   585  5.8400000000000E+00  3.1858101576440E-03  3.1858992084029E-03  4.4626565857367E-11
   586  5.8500000000000E+00  3.1465779752842E-03  3.1466658877917E-03  4.2312184499426E-11
   587  5.8600000000000E+00  3.1078430092101E-03  3.1079297992839E-03  4.0118012125155E-11
   588  5.8700000000000E+00  3.0695986858603E-03  3.0696843690726E-03  3.8037795068477E-11
   589  5.8800000000000E+00  3.0318385234188E-03  3.0319231151004E-03  3.6065605589485E-11
   590  5.8900000000000E+00  2.9945561304550E-03  2.9946396456998E-03  3.4195824911893E-11
   591  5.9000000000000E+00  2.9577452045837E-03  2.9578276582529E-03  3.2423126906629E-11
   592  5.9100000000000E+00  2.9213995311477E-03  2.9214809378734E-03  3.0742462791527E-11
   593  5.9200000000000E+00  2.8855129819213E-03  2.8855933561111E-03  2.9149046988557E-11
   594  5.9300000000000E+00  2.8500795138326E-03  2.8501588696731E-03  2.7638343090521E-11
   595  5.9400000000000E+00  2.8150931677073E-03  2.8151715191680E-03  2.6206050880689E-11
   596  5.9500000000000E+00  2.7805480670316E-03  2.7806254278689E-03  2.4848094095182E-11
   597  5.9600000000000E+00  2.7464384167355E-03  2.7465148004959E-03  2.3560608815308E-11
   598  5.9700000000000E+00  2.7127585019930E-03  2.7128339220172E-03  2.2339932228905E-11
   599  5.9800000000000E+00  2.6795026870431E-03  2.6795771564695E-03  2.1182592131944E-11
   600  5.9900000000000E+00  2.6466654140293E-03  2.6467389457970E-03  2.0085297201319E-11
<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
  Pb 82.00   12    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    6.00
    4    2   10.00
    5    0    2.00
    5    1    6.00
    4    3   14.00
    5    2   10.00
    6    0    2.00
    6    1    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   3.09860  -0.44247    4    7   3.13049
    1   2.96143  -0.12854    4    9   4.37870
    2   3.10000  -0.77825    4    7   4.97968
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.90000      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.70000
    1    2   2.70000
    2    2   1.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   6.00000   1.34000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -15.00   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):  12 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  14 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.44 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.41 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>