Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 3 2 2014 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.47000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.50000000000 -8.14124302800 3P 3 1 6.00 0.00000000000 1.50000000000 -5.47000421100 3D 3 2 7.00 0.00000000000 1.55000000000 -1.27045370800 4S 4 0 1.00 0.00000000000 1.50000000000 -0.96134072300 4P 4 1 0.00 0.00000000000 1.50000000000 -0.56451832000 0 Version Number Co Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 17.00000000000 Z valence -296.96453334200 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 863 Number of points in mesh 5 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 6.00 3D 2 7.00 4S 0 1.00 4P 1 0.00 0.00000000000E+00 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-6.01720301634E-03 -6.33015183753E-03 -6.65932157628E-03 -7.00554820757E-03 -7.36971032646E-03 -7.75273131744E-03 -8.15558154866E-03 -8.57928076694E-03 -9.02490047270E-03 -9.49356655476E-03 -9.98646197433E-03 -1.05048295209E-02 -1.10499748475E-02 -1.16232694747E-02 -1.22261540351E-02 -1.28601417334E-02 -1.35268216848E-02 -1.42278628187E-02 -1.49650175355E-02 -1.57401258753E-02 -1.65551195718E-02 -1.74120265880E-02 -1.83129755147E-02 -1.92602004587E-02 -2.02560459414E-02 -2.13029719986E-02 -2.24035597032E-02 -2.35605166469E-02 -2.47766826186E-02 -2.60550359942E-02 -2.73986995066E-02 -2.88109471418E-02 -3.02952105785E-02 -3.18550862910E-02 -3.34943425326E-02 -3.52169270012E-02 -3.70269741704E-02 -3.89288133777E-02 -4.09269767554E-02 -4.30262075344E-02 -4.52314685521E-02 -4.75479508234E-02 -4.99810824657E-02 -5.25365375622E-02 -5.52202452804E-02 -5.80383990902E-02 -6.09974658794E-02 -6.41041953749E-02 -6.73656291183E-02 -7.07891099042E-02 -7.43822904028E-02 -7.81531422651E-02 -8.21099643969E-02 -8.62613910490E-02 -9.06163994903E-02 -9.51843169501E-02 -9.99748268223E-02 -1.04997973940E-01 -1.10264169220E-01 -1.15784192031E-01 -1.21569192599E-01 -1.27630691233E-01 -1.33980576599E-01 -1.40631101511E-01 -1.47594875814E-01 -1.54884857042E-01 -1.62514337055E-01 -1.70496925563E-01 -1.78846529056E-01 -1.87577325173E-01 -1.96703732164E-01 -2.06240371262E-01 -2.16202024538E-01 -2.26603582882E-01 -2.37459988698E-01 -2.48786166747E-01 -2.60596947940E-01 -2.72906979631E-01 -2.85730626377E-01 -2.99081855189E-01 -3.12974109004E-01 -3.27420161938E-01 -3.42431960266E-01 -3.58020442355E-01 -3.74195341457E-01 -3.90964964267E-01 -4.08335949929E-01 -4.26313000913E-01 -4.44898591489E-01 -4.64092645481E-01 -4.83892187662E-01 -5.04290963077E-01 -5.25279025684E-01 -5.46842294568E-01 -5.68962076274E-01 -5.91614555320E-01 -6.14770248952E-01 -6.38393432376E-01 -6.62441529555E-01 -6.86864478521E-01 -7.11604067400E-01 -7.36593253285E-01 -7.61755460978E-01 -7.87003878947E-01 -8.12240751127E-01 -8.37356686342E-01 -8.62229989255E-01 -8.86726038492E-01 -9.10696722395E-01 -9.33979962848E-01 -9.56399347713E-01 -9.77763903770E-01 -9.97868046187E-01 -1.01649173676E+00 -1.03340090157E+00 -1.04834814482E+00 -1.06107381858E+00 -1.07130749377E+00 -1.07876989586E+00 -1.08317535630E+00 -1.08423484495E+00 -1.08165963181E+00 -1.07516563595E+00 -1.06447849980E+00 -1.04933942345E+00 -1.02951176866E+00 -1.00478842752E+00 -9.74999908588E-01 -9.40023067016E-01 -8.99790344417E-01 -8.54299331537E-01 -8.03622397316E-01 -7.47916034456E-01 -6.87429492887E-01 -6.22512147328E-01 -5.53618948676E-01 -4.81313169368E-01 -4.06265550011E-01 -3.29248823869E-01 -2.51126522734E-01 -1.72834895132E-01 -9.53567869326E-02 -1.96864128311E-02 5.32158285119E-02 1.22478977845E-01 1.87387449342E-01 2.47456290844E-01 3.02513558490E-01 3.52785979776E-01 3.98981971877E-01 4.42363466140E-01 4.84794827135E-01 5.28753504932E-01 5.77283077849E-01 6.33865320931E-01 7.02184484140E-01 7.85754962872E-01 8.87384587937E-01 1.00845202674E+00 1.14799186730E+00 1.30160976704E+00 1.46030005151E+00 1.60931971797E+00 1.72740088553E+00 1.78677910814E+00 1.75480656472E+00 1.59835040346E+00 1.29277215228E+00 8.40491346667E-01 3.61149929959E-01 3.72983800343E-02 -3.12632912830E-03 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 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 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 1.28261751040E+00 1 2 3.39770305164E+00 2 2 5.06017079368E+00 3 3 1.29370107733E+01 3 4 -2.01889604661E+01 4 4 2.98505874629E+01 5 5 5.86818636247E+01 5 6 6.60583710298E+01 6 6 7.42483828875E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.20000000000E+00 2 1.20000000000E+00 3 1.20000000000E+00 4 1.20000000000E+00 5 1.20000000000E+00 1 1 0 i j (l(j)) -8.90046367692E-02 Q_int 0.00000000000E+00 2.50900291212E-12 1.02082963695E-11 2.33640804985E-11 4.22532251254E-11 6.71636631525E-11 9.83947979329E-11 1.36257925135E-10 1.81076669603E-10 2.33187437740E-10 2.92939885951E-10 3.60697405718E-10 4.36837625878E-10 5.21752932711E-10 6.15851008461E-10 7.19555388926E-10 8.33306040802E-10 9.57559959445E-10 1.09279178779E-09 1.23949445712E-09 1.39817985057E-09 1.56937948993E-09 1.75364524682E-09 1.95155007892E-09 2.16368879220E-09 2.39067882995E-09 2.63316108975E-09 2.89180076914E-09 3.16728824115E-09 3.46033996054E-09 3.77169940212E-09 4.10213803191E-09 4.45245631260E-09 4.82348474427E-09 5.21608494177E-09 5.63115074988E-09 6.06960939772E-09 6.53242269364E-09 7.02058826211E-09 7.53514082398E-09 8.07715352168E-09 8.64773929087E-09 9.24805228025E-09 9.87928932106E-09 1.05426914481E-08 1.12395454742E-08 1.19711856193E-08 1.27389951975E-08 1.35444083623E-08 1.43889119132E-08 1.52740471656E-08 1.62014118862E-08 1.71726622958E-08 1.81895151425E-08 1.92537498465E-08 2.03672107212E-08 2.15318092708E-08 2.27495265687E-08 2.40224157185E-08 2.53526044014E-08 2.67422975126E-08 2.81937798887E-08 2.97094191318E-08 3.12916685308E-08 3.29430700853E-08 3.46662576347E-08 3.64639600964E-08 3.83390048172E-08 4.02943210405E-08 4.23329434960E-08 4.44580161127E-08 4.66727958623E-08 4.89806567363E-08 5.13850938611E-08 5.38897277572E-08 5.64983087455E-08 5.92147215084E-08 6.20429898081E-08 6.49872813703E-08 6.80519129367E-08 7.12413554947E-08 7.45602396871E-08 7.80133614115E-08 8.16056876133E-08 8.53423622809E-08 8.92287126486E-08 9.32702556153E-08 9.74727043863E-08 1.01841975346E-07 1.06384195169E-07 1.11105708177E-07 1.16013083957E-07 1.21113125232E-07 1.26412876019E-07 1.31919630063E-07 1.37640939560E-07 1.43584624192E-07 1.49758780469E-07 1.56171791395E-07 1.62832336476E-07 1.69749402067E-07 1.76932292080E-07 1.84390639069E-07 1.92134415692E-07 2.00173946577E-07 2.08519920592E-07 2.17183403546E-07 2.26175851333E-07 2.35509123520E-07 2.45195497421E-07 2.55247682646E-07 2.65678836160E-07 2.76502577867E-07 2.87733006726E-07 2.99384717432E-07 3.11472817671E-07 3.24012945975E-07 3.37021290193E-07 3.50514606607E-07 3.64510239701E-07 3.79026142623E-07 3.94080898354E-07 4.09693741604E-07 4.25884581471E-07 4.42674024888E-07 4.60083400872E-07 4.78134785621E-07 4.96851028473E-07 5.16255778771E-07 5.36373513650E-07 5.57229566788E-07 5.78850158156E-07 6.01262424789E-07 6.24494452633E-07 6.48575309480E-07 6.73535079053E-07 6.99404896266E-07 7.26216983704E-07 7.54004689362E-07 7.82802525695E-07 8.12646210013E-07 8.43572706274E-07 8.75620268323E-07 9.08828484630E-07 9.43238324561E-07 9.78892186268E-07 1.01583394622E-06 1.05410901044E-06 1.09376436755E-06 1.13484864360E-06 1.17741215881E-06 1.22150698631E-06 1.26718701284E-06 1.31450800161E-06 1.36352765730E-06 1.41430569329E-06 1.46690390128E-06 1.52138622325E-06 1.57781882590E-06 1.63627017774E-06 1.69681112873E-06 1.75951499279E-06 1.82445763307E-06 1.89171755020E-06 1.96137597358E-06 2.03351695585E-06 2.10822747054E-06 2.18559751325E-06 2.26572020611E-06 2.34869190606E-06 2.43461231668E-06 2.52358460405E-06 2.61571551647E-06 2.71111550841E-06 2.80989886867E-06 2.91218385301E-06 3.01809282133E-06 3.12775237961E-06 3.24129352673E-06 3.35885180634E-06 3.48056746400E-06 3.60658560974E-06 3.73705638623E-06 3.87213514270E-06 4.01198261495E-06 4.15676511148E-06 4.30665470611E-06 4.46182943721E-06 4.62247351379E-06 4.78877752874E-06 4.96093867937E-06 5.13916099561E-06 5.32365557601E-06 5.51464083199E-06 5.71234274034E-06 5.91699510461E-06 6.12883982539E-06 6.34812717991E-06 6.57511611137E-06 6.81007452813E-06 7.05327961326E-06 7.30501814479E-06 7.56558682692E-06 7.83529263270E-06 8.11445315850E-06 8.40339699067E-06 8.70246408488E-06 9.01200615844E-06 9.33238709623E-06 9.66398337053E-06 1.00071844753E-05 1.03623933757E-05 1.07300269723E-05 1.11105165824E-05 1.15043084369E-05 1.19118641949E-05 1.23336614757E-05 1.27701944092E-05 1.32219742053E-05 1.36895297427E-05 1.41734081784E-05 1.46741755772E-05 1.51924175640E-05 1.57287399981E-05 1.62837696701E-05 1.68581550234E-05 1.74525669006E-05 1.80676993150E-05 1.87042702491E-05 1.93630224800E-05 2.00447244335E-05 2.07501710681E-05 2.14801847878E-05 2.22356163879E-05 2.30173460319E-05 2.38262842633E-05 2.46633730506E-05 2.55295868694E-05 2.64259338210E-05 2.73534567891E-05 2.83132346371E-05 2.93063834452E-05 3.03340577911E-05 3.13974520734E-05 3.24978018812E-05 3.36363854104E-05 3.48145249280E-05 3.60335882869E-05 3.72949904926E-05 3.86001953232E-05 3.99507170051E-05 4.13481219450E-05 4.27940305230E-05 4.42901189445E-05 4.58381211574E-05 4.74398308333E-05 4.90971034172E-05 5.08118582465E-05 5.25860807425E-05 5.44218246764E-05 5.63212145123E-05 5.82864478306E-05 6.03197978332E-05 6.24236159340E-05 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