Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 0.00000000000 1.70000000000 -3.09378884300 5S 5 0 2.00 0.00000000000 1.70000000000 -1.54030613400 5P 5 1 2.00 0.00000000000 1.80000000000 -0.89918734600 0 Version Number Sb Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 15.00000000000 Z valence -183.59044874300 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 891 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 2.00 5P 1 2.00 0.00000000000E+00 1.12197081103E-09 2.27234444837E-09 3.45183993299E-09 4.66119448795E-09 5.90116399923E-09 7.17252348814E-09 8.47606759574E-09 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-3.91959955702E-05 -4.22469605937E-05 -4.55354013046E-05 -4.90797963516E-05 -5.29000626110E-05 -5.70176614474E-05 -6.14557288170E-05 -6.62391946497E-05 -7.13949283238E-05 -7.69518896753E-05 -8.29412837641E-05 -8.93967492229E-05 -9.63545313599E-05 -1.03853694060E-04 -1.11936338532E-04 -1.20647828979E-04 -1.30037063437E-04 -1.40156727276E-04 -1.51063602430E-04 -1.62818877739E-04 -1.75488486565E-04 -1.89143488502E-04 -2.03860447499E-04 -2.19721871644E-04 -2.36816668417E-04 -2.55240632317E-04 -2.75096998730E-04 -2.96496987559E-04 -3.19560448120E-04 -3.44416510802E-04 -3.71204300674E-04 -4.00073725015E-04 -4.31186284063E-04 -4.64715975239E-04 -5.00850258944E-04 -5.39791079540E-04 -5.81756000710E-04 -6.26979384516E-04 -6.75713696340E-04 -7.28230889779E-04 -7.84823890238E-04 -8.45808230196E-04 -9.11523745500E-04 -9.82336455249E-04 -1.05864056322E-03 -1.14086058899E-03 -1.22945371217E-03 -1.32491222990E-03 -1.42776623796E-03 -1.53858651826E-03 -1.65798758890E-03 -1.78663106905E-03 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-8.81092166313E-02 -9.45508866180E-02 -1.01438080265E-01 -1.08798012973E-01 -1.16659029827E-01 -1.25050564704E-01 -1.34003079865E-01 -1.43547983046E-01 -1.53717517545E-01 -1.64544621627E-01 -1.76062752017E-01 -1.88305666018E-01 -2.01307156635E-01 -2.15100733381E-01 -2.29719242090E-01 -2.45194415301E-01 -2.61556344578E-01 -2.78832865867E-01 -2.97048846963E-01 -3.16225368045E-01 -3.36378783296E-01 -3.57519652855E-01 -3.79651535302E-01 -4.02769628200E-01 -4.26859249537E-01 -4.51894150342E-01 -4.77834653270E-01 -5.04625615763E-01 -5.32194217395E-01 -5.60447581558E-01 -5.89270244426E-01 -6.18521495666E-01 -6.48032627616E-01 -6.77604139298E-01 -7.07002963723E-01 -7.35959800616E-01 -7.64166661738E-01 -7.91274760746E-01 -8.16892903169E-01 -8.40586565418E-01 -8.61877875841E-01 -8.80246740751E-01 -8.95133382425E-01 -9.05942568068E-01 -9.12049818033E-01 -9.12809862530E-01 -9.07567579831E-01 -8.95671578826E-01 -8.76490470523E-01 -8.49431716772E-01 -8.13962717255E-01 -7.69633516947E-01 -7.16100177465E-01 -6.53147468241E-01 -5.80709147804E-01 -4.98883758820E-01 -4.07943670685E-01 -3.08335208623E-01 -2.00668310693E-01 -8.56955466237E-02 3.57171743902E-02 1.62621901470E-01 2.94009886893E-01 4.28803132771E-01 5.65787684827E-01 7.03451652766E-01 8.39686936519E-01 9.71322300017E-01 1.09349212320E+00 1.19893724073E+00 1.27752982985E+00 1.31668680887E+00 1.30407737727E+00 1.23478080503E+00 1.13161531330E+00 1.04334083136E+00 9.34389079513E-01 7.89924433020E-01 6.21686686186E-01 4.41723045302E-01 2.66655804347E-01 1.16342272517E-01 1.57669624416E-02 -5.01199120739E-04 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 6.41417683411E+00 1 2 1.72984724668E+00 2 2 3.07755450992E-02 3 3 1.58148315947E+00 3 4 -3.33914095000E+00 4 4 -6.18958934001E-01 5 5 8.26426884908E+00 5 6 -1.20321088381E+01 6 6 1.58519060264E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.35000000000E+00 2 1.35000000000E+00 3 1.35000000000E+00 4 1.35000000000E+00 5 1.35000000000E+00 1 1 0 i j (l(j)) -2.53888936186E-01 Q_int 0.00000000000E+00 2.14076455564E-17 8.78120499391E-17 2.02631558969E-16 3.69487913817E-16 5.92217391504E-16 8.74882534598E-16 1.22178450081E-15 1.63747606472E-15 2.12677530553E-15 2.69478001652E-15 3.34688287381E-15 4.08878740364E-15 4.92652478993E-15 5.86647156551E-15 6.91536823301E-15 8.08033886363E-15 9.36891172443E-15 1.07890409877E-14 1.23491295780E-14 1.40580532168E-14 1.59251857254E-14 1.79604256524E-14 2.01742242944E-14 2.25776151808E-14 2.51822450999E-14 2.80004067451E-14 3.10450730659E-14 3.43299334106E-14 3.78694315550E-14 4.16788057131E-14 4.57741306327E-14 5.01723618848E-14 5.48913824581E-14 5.99500517792E-14 6.53682572837E-14 7.11669686688E-14 7.73682949675E-14 8.39955445881E-14 9.10732884746E-14 9.86274265460E-14 1.06685257586E-13 1.15275552762E-13 1.24428632954E-13 1.34176450101E-13 1.44552672764E-13 1.55592776120E-13 1.67334136629E-13 1.79816131596E-13 1.93080243902E-13 2.07170172151E-13 2.22131946519E-13 2.38014050605E-13 2.54867549586E-13 2.72746224998E-13 2.91706716497E-13 3.11808670945E-13 3.33114899203E-13 3.55691541038E-13 3.79608238541E-13 4.04938318516E-13 4.31758984285E-13 4.60151517403E-13 4.90201489790E-13 5.21998986817E-13 5.55638841903E-13 5.91220883230E-13 6.28850193185E-13 6.68637381186E-13 7.10698870588E-13 7.55157200389E-13 8.02141342491E-13 8.51787035325E-13 9.04237134678E-13 9.59641982605E-13 1.01815979535E-12 1.07995707129E-12 1.14520901983E-12 1.21410001250E-12 1.28682405720E-12 1.36358529692E-12 1.44459853415E-12 1.53008978227E-12 1.62029684536E-12 1.71546992785E-12 1.81587227557E-12 1.92178084977E-12 2.03348703590E-12 2.15129738879E-12 2.27553441621E-12 2.40653740280E-12 2.54466327631E-12 2.69028751848E-12 2.84380512273E-12 3.00563160115E-12 3.17620404326E-12 3.35598222924E-12 3.54544980043E-12 3.74511548997E-12 3.95551441676E-12 4.17720944595E-12 4.41079261937E-12 4.65688665950E-12 4.91614655077E-12 5.18926120206E-12 5.47695519484E-12 5.77999062090E-12 6.09916901478E-12 6.43533338534E-12 6.78937035179E-12 7.16221238947E-12 7.55484019103E-12 7.96828514893E-12 8.40363196545E-12 8.86202139683E-12 9.34465313833E-12 9.85278885756E-12 1.03877553835E-11 1.09509480597E-11 1.15438342687E-11 1.21679571392E-11 1.28249394416E-11 1.35164876852E-11 1.42443964251E-11 1.50105527902E-11 1.58169412438E-11 1.66656485891E-11 1.75588692309E-11 1.84989107081E-11 1.94881995098E-11 2.05292871907E-11 2.16248567993E-11 2.27777296372E-11 2.39908723651E-11 2.52674044729E-11 2.66106061343E-11 2.80239264637E-11 2.95109921977E-11 3.10756168211E-11 3.27218101629E-11 3.44537884831E-11 3.62759850784E-11 3.81930614316E-11 4.02099189337E-11 4.23317112067E-11 4.45638570598E-11 4.69120541101E-11 4.93822931016E-11 5.19808729603E-11 5.47144166204E-11 5.75898876640E-11 6.06146078130E-11 6.37962753202E-11 6.71429843031E-11 7.06632450695E-11 7.43660054866E-11 7.82606734462E-11 8.23571404822E-11 8.66658066008E-11 9.11976063830E-11 9.59640364278E-11 1.00977184203E-10 1.06249758373E-10 1.11795120691E-10 1.17627319515E-10 1.23761125054E-10 1.30212066417E-10 1.36996470560E-10 1.44131503243E-10 1.51635212068E-10 1.59526571745E-10 1.67825531669E-10 1.76553065936E-10 1.85731225931E-10 1.95383195612E-10 2.05533349623E-10 2.16207314399E-10 2.27432032394E-10 2.39235829612E-10 2.51648486597E-10 2.64701313066E-10 2.78427226368E-10 2.92860833971E-10 3.08038520175E-10 3.23998537274E-10 3.40781101398E-10 3.58428493263E-10 3.76985164093E-10 3.96497846975E-10 4.17015673922E-10 4.38590298940E-10 4.61276027412E-10 4.85129952107E-10 5.10212096178E-10 5.36585563481E-10 5.64316696609E-10 5.93475243032E-10 6.24134529755E-10 6.56371646930E-10 6.90267640894E-10 7.25907717093E-10 7.63381453426E-10 8.02783024518E-10 8.44211437506E-10 8.87770779904E-10 9.33570480188E-10 9.81725581743E-10 1.03235703085E-09 1.08559197947E-09 1.14156410349E-09 1.20041393737E-09 1.26228922590E-09 1.32734529401E-09 1.39574543554E-09 1.46766132193E-09 1.54327343192E-09 1.62277150321E-09 1.70635500735E-09 1.79423364893E-09 1.88662789043E-09 1.98376950387E-09 2.08590215088E-09 2.19328199244E-09 2.30617832991E-09 2.42487427888E-09 2.54966747767E-09 2.68087083206E-09 2.81881329829E-09 2.96384070614E-09 3.11631662428E-09 3.27662326994E-09 3.44516246521E-09 3.62235664251E-09 3.80864990139E-09 4.00450911976E-09 4.21042512191E-09 4.42691390652E-09 4.65451793762E-09 4.89380750175E-09 5.14538213466E-09 5.40987212122E-09 5.68794007226E-09 5.98028258215E-09 6.28763197150E-09 6.61075811917E-09 6.95047038816E-09 7.30761965034E-09 7.68310041496E-09 8.07785306625E-09 8.49286621587E-09 8.92917917585E-09 9.38788455839E-09 9.87013100901E-09 1.03771260797E-08 1.09101392497E-08 1.14705051005E-08 1.20596266546E-08 1.26789788846E-08 1.33301124028E-08 1.40146573393E-08 1.47343274201E-08 1.54909242529E-08 1.62863418336E-08 1.71225712837E-08 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