Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 31 3 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.32399141017E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5P 5 1 6.00 0.00000000000 1.60000000000 -4.31620821600 5D 5 2 9.50 0.00000000000 1.60000000000 -0.67075124800 6S 6 0 0.00 0.00000000000 2.45000000000 -0.63928084400 6P 6 1 0.00 0.00000000000 1.60000000000 -0.24589354600 0 Version Number Pt Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 16.00000000000 Z valence -210.00500539500 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 985 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5P 1 6.00 5D 2 9.50 6S 0 0.00 6P 1 0.00 0.00000000000E+00 1.96479353672E-07 3.96260804275E-07 5.99399847942E-07 8.05952913492E-07 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-1.49119769457E-01 -2.75238977800E-01 -3.94992384385E-01 -5.02738001911E-01 -5.93004713956E-01 -6.60436938008E-01 -7.00591284856E-01 -7.09989685514E-01 -6.87099505474E-01 -6.32431246541E-01 -5.49551144899E-01 -4.44966836432E-01 -3.28741991030E-01 -2.13515291566E-01 -1.13731632757E-01 -4.23706157806E-02 -6.75339308274E-03 -1.07991424502E-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 9 Number of nonzero Dij 1 1 4.59245358656E+00 1 2 2.77432036974E+00 2 2 3.50084672667E+00 3 3 1.56551819397E+00 3 4 5.41851169543E+00 4 4 8.98442896793E+00 5 5 -3.95414882932E-02 5 6 -1.77856174385E+00 6 6 8.94078917934E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.30000000000E+00 2 1.30000000000E+00 3 1.30000000000E+00 4 1.30000000000E+00 5 1.30000000000E+00 1 1 0 i j (l(j)) -2.99627886796E-01 Q_int 0.00000000000E+00 1.29500160469E-13 5.26742909480E-13 1.20522941278E-12 2.17899284447E-12 3.46261766967E-12 5.07125960167E-12 7.02066625702E-12 9.32719853236E-12 1.20078527279E-11 1.50802834435E-11 1.85628272730E-11 2.24745273256E-11 2.68351586018E-11 3.16652542533E-11 3.69861327572E-11 4.28199260370E-11 4.91896085606E-11 5.61190274518E-11 6.36329336471E-11 7.17570141361E-11 8.05179253212E-11 8.99433275356E-11 1.00061920759E-10 1.10903481574E-10 1.22498901397E-10 1.34880226049E-10 1.48080696678E-10 1.62134792116E-10 1.77078272693E-10 1.92948225569E-10 2.09783111637E-10 2.27622814045E-10 2.46508688396E-10 2.66483614690E-10 2.87592051045E-10 3.09880089294E-10 3.33395512481E-10 3.58187854360E-10 3.84308460932E-10 4.11810554116E-10 4.40749297610E-10 4.71181865022E-10 5.03167510357E-10 5.36767640918E-10 5.72045892736E-10 6.09068208584E-10 6.47902918682E-10 6.88620824182E-10 7.31295283520E-10 7.76002301745E-10 8.22820622917E-10 8.71831825677E-10 9.23120422116E-10 9.76773960029E-10 1.03288312869E-09 1.09154186824E-09 1.15284748289E-09 1.21690075793E-09 1.28380608081E-09 1.35367156636E-09 1.42660918633E-09 1.50273490332E-09 1.58216880935E-09 1.66503526918E-09 1.75146306852E-09 1.84158556734E-09 1.93554085843E-09 2.03347193139E-09 2.13552684222E-09 2.24185888879E-09 2.35262679221E-09 2.46799488452E-09 2.58813330273E-09 2.71321818952E-09 2.84343190084E-09 2.97896322058E-09 3.12000758261E-09 3.26676730037E-09 3.41945180437E-09 3.57827788779E-09 3.74346996047E-09 3.91526031158E-09 4.09388938128E-09 4.27960604167E-09 4.47266788735E-09 4.67334153584E-09 4.88190293838E-09 5.09863770124E-09 5.32384141806E-09 5.55782001353E-09 5.80089009881E-09 6.05337933906E-09 6.31562683355E-09 6.58798350873E-09 6.87081252471E-09 7.16448969563E-09 7.46940392434E-09 7.78595765196E-09 8.11456732272E-09 8.45566386472E-09 8.80969318703E-09 9.17711669377E-09 9.55841181574E-09 9.95407256013E-09 1.03646100790E-08 1.07905532571E-08 1.12324493200E-08 1.16908644622E-08 1.21663844978E-08 1.26596155322E-08 1.31711846573E-08 1.37017406706E-08 1.42519548180E-08 1.48225215628E-08 1.54141593800E-08 1.60276115788E-08 1.66636471517E-08 1.73230616537E-08 1.80066781111E-08 1.87153479608E-08 1.94499520220E-08 2.02114015011E-08 2.10006390305E-08 2.18186397427E-08 2.26664123814E-08 2.35450004502E-08 2.44554833998E-08 2.53989778568E-08 2.63766388933E-08 2.73896613401E-08 2.84392811447E-08 2.95267767750E-08 3.06534706713E-08 3.18207307476E-08 3.30299719437E-08 3.42826578301E-08 3.55803022680E-08 3.69244711248E-08 3.83167840494E-08 3.97589163059E-08 4.12526006717E-08 4.27996293986E-08 4.44018562415E-08 4.60611985555E-08 4.77796394645E-08 4.95592301037E-08 5.14020919383E-08 5.33104191606E-08 5.52864811688E-08 5.73326251307E-08 5.94512786333E-08 6.16449524233E-08 6.39162432410E-08 6.62678367491E-08 6.87025105630E-08 7.12231373822E-08 7.38326882293E-08 7.65342357988E-08 7.93309579193E-08 8.22261411337E-08 8.52231844006E-08 8.83256029226E-08 9.15370321026E-08 9.48612316367E-08 9.83020897448E-08 1.01863627545E-07 1.05550003576E-07 1.09365518477E-07 1.13314619820E-07 1.17401907110E-07 1.21632136958E-07 1.26010228420E-07 1.30541268532E-07 1.35230518018E-07 1.40083417199E-07 1.45105592106E-07 1.50302860795E-07 1.55681239873E-07 1.61246951260E-07 1.67006429161E-07 1.72966327295E-07 1.79133526350E-07 1.85515141707E-07 1.92118531417E-07 1.98951304450E-07 2.06021329230E-07 2.13336742450E-07 2.20905958193E-07 2.28737677365E-07 2.36840897437E-07 2.45224922530E-07 2.53899373836E-07 2.62874200393E-07 2.72159690227E-07 2.81766481871E-07 2.91705576277E-07 3.01988349129E-07 3.12626563579E-07 3.23632383406E-07 3.35018386632E-07 3.46797579598E-07 3.58983411506E-07 3.71589789474E-07 3.84631094084E-07 3.98122195470E-07 4.12078469941E-07 4.26515817182E-07 4.41450678023E-07 4.56900052823E-07 4.72881520473E-07 4.89413258041E-07 5.06514061089E-07 5.24203364677E-07 5.42501265076E-07 5.61428542226E-07 5.81006682948E-07 6.01257904945E-07 6.22205181621E-07 6.43872267741E-07 6.66283725954E-07 6.89464954227E-07 7.13442214204E-07 7.38242660525E-07 7.63894371143E-07 7.90426378667E-07 8.17868702774E-07 8.46252383710E-07 8.75609516935E-07 9.05973288944E-07 9.37378014296E-07 9.69859173908E-07 1.00345345464E-06 1.03819879022E-06 1.07413440358E-06 1.11130085059E-06 1.14974006530E-06 1.18949540675E-06 1.23061170725E-06 1.27313532245E-06 1.31711418303E-06 1.36259784808E-06 1.40963756045E-06 1.45828630382E-06 1.50859886181E-06 1.56063187901E-06 1.61444392418E-06 1.67009555552E-06 1.72764938814E-06 1.78717016389E-06 1.84872482350E-06 1.91238258120E-06 1.97821500181E-06 2.04629608054E-06 2.11670232544E-06 2.18951284260E-06 2.26480942435E-06 2.34267664035E-06 2.42320193183E-06 2.50647570899E-06 2.59259145174E-06 2.68164581378E-06 2.77373873033E-06 2.86897352938E-06 2.96745704684E-06 3.06929974547E-06 3.17461583792E-06 3.28352341396E-06 3.39614457194E-06 3.51260555478E-06 3.63303689052E-06 3.75757353770E-06 3.88635503560E-06 4.01952565961E-06 4.15723458185E-06 4.29963603726E-06 4.44688949529E-06 4.59915983746E-06 4.75661754083E-06 4.91943886787E-06 5.08780606256E-06 5.26190755331E-06 5.44193816266E-06 5.62809932410E-06 5.82059930629E-06 6.01965344483E-06 6.22548438189E-06 6.43832231400E-06 6.65840524821E-06 6.88597926690E-06 7.12129880166E-06 7.36462691637E-06 7.61623559988E-06 7.87640606868E-06 8.14542907974E-06 8.42360525400E-06 8.71124541083E-06 9.00867091381E-06 9.31621402821E-06 9.63421829065E-06 9.96303889120E-06 1.03030430685E-05 1.06546105183E-05 1.10181338155E-05 1.13940188514E-05 1.17826852844E-05 1.21845670073E-05 1.26001126296E-05 1.30297859764E-05 1.34740666042E-05 1.39334503344E-05 1.44084498044E-05 1.48995950376E-05 1.54074340333E-05 1.59325333751E-05 1.64754788616E-05 1.70368761576E-05 1.76173514673E-05 1.82175522303E-05 1.88381478418E-05 1.94798303967E-05 2.01433154587E-05 2.08293428558E-05 2.15386775028E-05 2.22721102515E-05 2.30304587698E-05 2.38145684501E-05 2.46253133496E-05 2.54635971608E-05 2.63303542168E-05 2.72265505287E-05 2.81531848599E-05 2.91112898352E-05 3.01019330887E-05 3.11262184499E-05 3.21852871702E-05 3.32803191908E-05 3.44125344538E-05 3.55831942569E-05 3.67936026555E-05 3.80451079103E-05 3.93391039857E-05 4.06770320977E-05 4.20603823148E-05 4.34906952129E-05 4.49695635860E-05 4.64986342155E-05 4.80796096984E-05 4.97142503382E-05 5.14043760992E-05 5.31518686274E-05 5.49586733391E-05 5.68268015813E-05 5.87583328637E-05 6.07554171675E-05 6.28202773315E-05 6.49552115192E-05 6.71625957695E-05 6.94448866329E-05 7.18046238981E-05 7.42444334093E-05 7.67670299802E-05 7.93752204050E-05 8.20719065728E-05 8.48600886858E-05 8.77428685871E-05 9.07234532005E-05 9.38051580871E-05 9.69914111212E-05 1.00285756291E-04 1.03691857628E-04 1.07213503268E-04 1.10854609648E-04 1.14619225852E-04 1.18511538090E-04 1.22535874345E-04 1.26696709160E-04 1.30998668601E-04 1.35446535377E-04 1.40045254137E-04 1.44799936947E-04 1.49715868949E-04 1.54798514211E-04 1.60053521776E-04 1.65486731914E-04 1.71104182582E-04 1.76912116106E-04 1.82916986087E-04 1.89125464534E-04 1.95544449246E-04 2.02181071437E-04 2.09042703617E-04 2.16136967741E-04 2.23471743629E-04 2.31055177674E-04 2.38895691835E-04 2.47001992939E-04 2.55383082294E-04 2.64048265620E-04 2.73007163321E-04 2.82269721095E-04 2.91846220903E-04 3.01747292307E-04 3.11983924185E-04 3.22567476840E-04 3.33509694514E-04 3.44822718323E-04 3.56519099621E-04 3.68611813817E-04 3.81114274645E-04 3.94040348922E-04 4.07404371787E-04 4.21221162460E-04 4.35506040518E-04 4.50274842720E-04 4.65543940386E-04 4.81330257365E-04 4.97651288591E-04 5.14525119261E-04 5.31970444650E-04 5.50006590586E-04 5.68653534603E-04 5.87931927794E-04 6.07863117392E-04 6.28469170097E-04 6.49772896179E-04 6.71797874369E-04 6.94568477581E-04 7.18109899485E-04 7.42448181943E-04 7.67610243368E-04 7.93623907998E-04 8.20517936147E-04 8.48322055444E-04 8.77066993094E-04 9.06784509202E-04 9.37507431186E-04 9.69269689312E-04 1.00210635340E-03 1.03605367070E-03 1.07114910506E-03 1.10743137728E-03 1.14494050685E-03 1.18371785502E-03 1.22380616927E-03 1.26524962916E-03 1.30809389377E-03 1.35238615055E-03 1.39817516584E-03 1.44551133692E-03 1.49444674581E-03 1.54503521473E-03 1.59733236336E-03 1.65139566791E-03 1.70728452204E-03 1.76506029977E-03 1.82478642033E-03 1.88652841504E-03 1.95035399632E-03 2.01633312889E-03 2.08453810311E-03 2.15504361068E-03 2.22792682263E-03 2.30326746980E-03 2.38114792568E-03 2.46165329193E-03 2.54487148643E-03 2.63089333400E-03 2.71981265993E-03 2.81172638634E-03 2.90673463132E-03 3.00494081123E-03 3.10645174584E-03 3.21137776675E-03 3.31983282891E-03 3.43193462545E-03 3.54780470581E-03 3.66756859735E-03 3.79135593040E-03 3.91930056692E-03 4.05154073278E-03 4.18821915374E-03 4.32948319534E-03 4.47548500648E-03 4.62638166709E-03 4.78233533974E-03 4.94351342534E-03 5.11008872300E-03 5.28223959407E-03 5.46015013049E-03 5.64401032740E-03 5.83401626022E-03 6.03037026607E-03 6.23328112971E-03 6.44296427397E-03 6.65964195473E-03 6.88354346046E-03 7.11490531630E-03 7.35397149283E-03 7.60099361928E-03 7.85623120144E-03 8.11995184407E-03 8.39243147776E-03 8.67395459038E-03 8.96481446280E-03 9.26531340897E-03 9.57576302023E-03 9.89648441366E-03 1.02278084844E-02 1.05700761617E-02 1.09236386688E-02 1.12888577855E-02 1.16661061151E-02 1.20557673524E-02 1.24582365562E-02 1.28739204223E-02 1.33032375592E-02 1.37466187648E-02 1.42045073042E-02 1.46773591875E-02 1.51656434475E-02 1.56698424162E-02 1.61904520002E-02 1.67279819532E-02 1.72829561452E-02 1.78559128281E-02 1.84474048949E-02 1.90580001338E-02 1.96882814740E-02 2.03388472230E-02 2.10103112933E-02 2.17033034173E-02 2.24184693495E-02 2.31564710522E-02 2.39179868650E-02 2.47037116544E-02 2.55143569424E-02 2.63506510101E-02 2.72133389763E-02 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