Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 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 -4.31769477200 5D 5 2 9.50 0.00000000000 1.60000000000 -0.67262108100 6S 6 0 0.00 0.00000000000 2.45000000000 -0.64064709800 6P 6 1 0.00 0.00000000000 1.60000000000 -0.23959904100 0 Version Number Pt Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 16.00000000000 Z valence -209.79800905400 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 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-2.46209657863E-02 -1.52372034607E-01 -2.78867956711E-01 -3.98874243319E-01 -5.06742509130E-01 -5.96998919717E-01 -6.64292122094E-01 -7.04187747550E-01 -7.13224796112E-01 -6.89892565127E-01 -6.34731040668E-01 -5.51338704156E-01 -4.46259658710E-01 -3.29591294740E-01 -2.14003086853E-01 -1.13958679533E-01 -4.24433877234E-02 -6.76203568013E-03 -1.07082658458E-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 4.58488402082E+00 1 2 2.77467933658E+00 2 2 3.50247261207E+00 3 3 1.55358338419E+00 3 4 5.42169938259E+00 4 4 9.02738524204E+00 5 5 -3.17309131245E-02 5 6 -1.78276304916E+00 6 6 8.77841854176E+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)) -2.99615688157E-01 Q_int 0.00000000000E+00 1.29378998013E-13 5.26250080247E-13 1.20410178054E-12 2.17695414333E-12 3.45937798826E-12 5.06651484871E-12 7.01409760749E-12 9.31847185373E-12 1.19966179857E-11 1.50661740851E-11 1.85454595899E-11 2.24534997923E-11 2.68100511910E-11 3.16356277264E-11 3.69515279299E-11 4.27798630178E-11 4.91435859629E-11 5.60665215771E-11 6.35733976395E-11 7.16898771066E-11 8.04425914408E-11 8.98591750956E-11 9.99683011989E-11 1.10799718473E-10 1.22384289433E-10 1.34754029916E-10 1.47942149970E-10 1.61983096168E-10 1.76912595382E-10 1.92767700072E-10 2.09586835146E-10 2.27409846438E-10 2.46278050858E-10 2.66234288286E-10 2.87322975245E-10 3.09590160443E-10 3.33083582218E-10 3.57852727978E-10 3.83948895686E-10 4.11425257464E-10 4.40336925399E-10 4.70741019606E-10 5.02696738651E-10 5.36265432383E-10 5.71510677295E-10 6.08498354462E-10 6.47296730174E-10 6.87976539339E-10 7.30611071759E-10 7.75276261371E-10 8.22050778560E-10 8.71016125642E-10 9.22256735636E-10 9.75860074426E-10 1.03191674643E-09 1.09052060392E-09 1.15176886004E-09 1.21576220579E-09 1.28260493096E-09 1.35240504923E-09 1.42527442758E-09 1.50132892010E-09 1.58068850648E-09 1.66347743510E-09 1.74982437119E-09 1.83986254994E-09 1.93372993493E-09 2.03156938198E-09 2.13352880857E-09 2.23976136915E-09 2.35042563632E-09 2.46568578837E-09 2.58571180311E-09 2.71067965845E-09 2.84077153970E-09 2.97617605414E-09 3.11708845277E-09 3.26371085974E-09 3.41625250964E-09 3.57492999280E-09 3.73996750909E-09 3.91159713035E-09 4.09005907178E-09 4.27560197265E-09 4.46848318652E-09 4.66896908149E-09 4.87733535058E-09 5.09386733287E-09 5.31886034543E-09 5.55262002672E-09 5.79546269167E-09 6.04771569888E-09 6.30971783035E-09 6.58181968419E-09 6.86438408075E-09 7.15778648253E-09 7.46241542852E-09 7.77867298332E-09 8.10697520153E-09 8.44775260805E-09 8.80145069476E-09 9.16853043410E-09 9.54946881015E-09 9.94475936790E-09 1.03549127812E-08 1.07804574400E-08 1.12219400577E-08 1.16799262992E-08 1.21550014305E-08 1.26477709899E-08 1.31588614826E-08 1.36889210991E-08 1.42386204572E-08 1.48086533704E-08 1.53997376417E-08 1.60126158846E-08 1.66480563722E-08 1.73068539153E-08 1.79898307701E-08 1.86978375767E-08 1.94317543304E-08 2.01924913849E-08 2.09809904908E-08 2.17982258682E-08 2.26452053171E-08 2.35229713645E-08 2.44326024514E-08 2.53752141596E-08 2.63519604806E-08 2.73640351271E-08 2.84126728903E-08 2.94991510419E-08 3.06247907851E-08 3.17909587538E-08 3.29990685642E-08 3.42505824172E-08 3.55470127578E-08 3.68899239884E-08 3.82809342422E-08 3.97217172163E-08 4.12140040666E-08 4.27595853682E-08 4.43603131416E-08 4.60181029478E-08 4.77349360554E-08 4.95128616806E-08 5.13539993036E-08 5.32605410638E-08 5.52347542361E-08 5.72789837923E-08 5.93956550481E-08 6.15872764011E-08 6.38564421619E-08 6.62058354808E-08 6.86382313740E-08 7.11564998535E-08 7.37636091623E-08 7.64626291197E-08 7.92567345812E-08 8.21492090148E-08 8.51434481991E-08 8.82429640474E-08 9.14513885618E-08 9.47724779204E-08 9.82101167052E-08 1.01768322272E-07 1.05451249270E-07 1.09263194313E-07 1.13208600812E-07 1.17292063969E-07 1.21518335943E-07 1.25892331192E-07 1.30419131988E-07 1.35103994135E-07 1.39952352864E-07 1.44969828942E-07 1.50162234981E-07 1.55535581959E-07 1.61096085974E-07 1.66850175214E-07 1.72804497168E-07 1.78965926091E-07 1.85341570703E-07 1.91938782173E-07 1.98765162351E-07 2.05828572299E-07 2.13137141097E-07 2.20699274958E-07 2.28523666643E-07 2.36619305208E-07 2.44995486069E-07 2.53661821415E-07 2.62628250975E-07 2.71905053151E-07 2.81502856521E-07 2.91432651746E-07 3.01705803865E-07 3.12334065024E-07 3.23329587623E-07 3.34704937916E-07 3.46473110072E-07 3.58647540713E-07 3.71242123943E-07 3.84271226891E-07 3.97749705776E-07 4.11692922523E-07 4.26116761940E-07 4.41037649475E-07 4.56472569581E-07 4.72439084701E-07 4.88955354897E-07 5.06040158146E-07 5.23712911323E-07 5.41993691897E-07 5.60903260367E-07 5.80463083448E-07 6.00695358059E-07 6.21623036108E-07 6.43269850133E-07 6.65660339803E-07 6.88819879324E-07 7.12774705767E-07 7.37551948366E-07 7.63179658804E-07 7.89686842526E-07 8.17103491123E-07 8.45460615797E-07 8.74790281981E-07 9.05125645120E-07 9.36500987666E-07 9.68951757340E-07 1.00251460668E-06 1.03722743391E-06 1.07312942528E-06 1.11026109871E-06 1.14866434902E-06 1.18838249467E-06 1.22946032603E-06 1.27194415539E-06 1.31588186856E-06 1.36132297829E-06 1.40831867946E-06 1.45692190620E-06 1.50718739084E-06 1.55917172501E-06 1.61293342266E-06 1.66853298532E-06 1.72603296953E-06 1.78549805655E-06 1.84699512449E-06 1.91059332281E-06 1.97636414938E-06 2.04438153019E-06 2.11472190169E-06 2.18746429596E-06 2.26269042881E-06 2.34048479077E-06 2.42093474125E-06 2.50413060587E-06 2.59016577707E-06 2.67913681813E-06 2.77114357075E-06 2.86628926627E-06 2.96468064061E-06 3.06642805319E-06 3.17164560981E-06 3.28045128974E-06 3.39296707709E-06 3.50931909666E-06 3.62963775438E-06 3.75405788251E-06 3.88271888977E-06 4.01576491656E-06 4.15334499543E-06 4.29561321702E-06 4.44272890157E-06 4.59485677631E-06 4.75216715884E-06 4.91483614667E-06 5.08304581329E-06 5.25698441080E-06 5.43684657945E-06 5.62283356427E-06 5.81515343906E-06 6.01402133792E-06 6.21965969473E-06 6.43229849063E-06 6.65217550997E-06 6.87953660490E-06 7.11463596895E-06 7.35773641985E-06 7.60910969198E-06 7.86903673869E-06 8.13780804492E-06 8.41572395033E-06 8.70309498346E-06 9.00024220720E-06 9.30749757596E-06 9.62520430491E-06 9.95371725178E-06 1.02934033116E-05 1.06446418248E-05 1.10078249991E-05 1.13833583459E-05 1.17716611310E-05 1.21731668412E-05 1.25883236662E-05 1.30175949972E-05 1.34614599419E-05 1.39204138578E-05 1.43949689027E-05 1.48856546040E-05 1.53930184482E-05 1.59176264889E-05 1.64600639765E-05 1.70209360090E-05 1.76008682047E-05 1.82005073975E-05 1.88205223563E-05 1.94616045281E-05 2.01244688072E-05 2.08098543294E-05 2.15185252938E-05 2.22512718121E-05 2.30089107870E-05 2.37922868200E-05 2.46022731503E-05 2.54397726250E-05 2.63057187026E-05 2.72010764906E-05 2.81268438175E-05 2.90840523420E-05 3.00737686992E-05 3.10970956855E-05 3.21551734846E-05 3.32491809335E-05 3.43803368324E-05 3.55499012992E-05 3.67591771686E-05 3.80095114398E-05 3.93022967727E-05 4.06389730347E-05 4.20210288997E-05 4.34500035020E-05 4.49274881451E-05 4.64551280692E-05 4.80346242781E-05 4.96677354277E-05 5.13562797794E-05 5.31021372179E-05 5.49072513393E-05 5.67736316078E-05 5.87033555872E-05 6.06985712464E-05 6.27614993440E-05 6.48944358926E-05 6.70997547073E-05 6.93799100394E-05 7.17374393005E-05 7.41749658773E-05 7.66952020424E-05 7.93009519630E-05 8.19951148120E-05 8.47806879835E-05 8.76607704172E-05 9.06385660352E-05 9.37173872950E-05 9.69006588624E-05 1.00191921408E-04 1.03594835534E-04 1.07113185829E-04 1.10750885065E-04 1.14511978535E-04 1.18400648530E-04 1.22421218982E-04 1.26578160244E-04 1.30876094052E-04 1.35319798636E-04 1.39914214016E-04 1.44664447473E-04 1.49575779200E-04 1.54653668149E-04 1.59903758073E-04 1.65331883773E-04 1.70944077554E-04 1.76746575895E-04 1.82745826354E-04 1.88948494693E-04 1.95361472250E-04 2.01991883561E-04 2.08847094230E-04 2.15934719076E-04 2.23262630537E-04 2.30838967375E-04 2.38672143661E-04 2.46770858067E-04 2.55144103468E-04 2.63801176866E-04 2.72751689654E-04 2.82005578210E-04 2.91573114863E-04 3.01464919215E-04 3.11691969847E-04 3.22265616416E-04 3.33197592160E-04 3.44500026815E-04 3.56185459975E-04 3.68266854884E-04 3.80757612705E-04 3.93671587255E-04 4.07023100236E-04 4.20826956974E-04 4.35098462683E-04 4.49853439273E-04 4.65108242714E-04 4.80879780982E-04 4.97185532605E-04 5.14043565816E-04 5.31472558355E-04 5.49491817920E-04 5.68121303303E-04 5.87381646221E-04 6.07294173877E-04 6.27880932261E-04 6.49164710236E-04 6.71169064399E-04 6.93918344788E-04 7.17437721417E-04 7.41753211699E-04 7.66891708764E-04 7.92881010723E-04 8.19749850873E-04 8.47527928915E-04 8.76245943185E-04 9.05935623943E-04 9.36629767755E-04 9.68362272993E-04 1.00116817651E-03 1.03508369147E-03 1.07014624648E-03 1.10639452593E-03 1.14386851166E-03 1.18260952600E-03 1.22266027620E-03 1.26406490023E-03 1.30686901418E-03 1.35111976106E-03 1.39686586128E-03 1.44415766463E-03 1.49304720406E-03 1.54358825106E-03 1.59583637287E-03 1.64984899147E-03 1.70568544452E-03 1.76340704812E-03 1.82307716162E-03 1.88476125449E-03 1.94852697519E-03 2.01444422233E-03 2.08258521796E-03 2.15302458316E-03 2.22583941599E-03 2.30110937183E-03 2.37891674623E-03 2.45934656026E-03 2.54248664853E-03 2.62842774978E-03 2.71726360037E-03 2.80909103046E-03 2.90401006318E-03 3.00212401666E-03 3.10353960924E-03 3.20836706766E-03 3.31672023852E-03 3.42871670296E-03 3.54447789473E-03 3.66412922161E-03 3.78780019040E-03 3.91562453537E-03 4.04774035049E-03 4.18429022522E-03 4.32542138426E-03 4.47128583100E-03 4.62204049504E-03 4.77784738360E-03 4.93887373714E-03 5.10529218895E-03 5.27728092913E-03 5.45502387265E-03 5.63871083189E-03 5.82853769344E-03 6.02470659937E-03 6.22742613297E-03 6.43691150897E-03 6.65338476831E-03 6.87707497744E-03 7.10821843225E-03 7.34705886648E-03 7.59384766485E-03 7.84884408060E-03 8.11231545769E-03 8.38453745745E-03 8.66579428969E-03 8.95637894818E-03 9.25659345049E-03 9.56674908193E-03 9.88716664368E-03 1.02181767047E-02 1.05601198578E-02 1.09133469785E-02 1.12782194883E-02 1.16551096199E-02 1.20444006867E-02 1.24464873529E-02 1.28617759077E-02 1.32906845400E-02 1.37336436149E-02 1.41910959507E-02 1.46634970967E-02 1.51513156105E-02 1.56550333341E-02 1.61751456685E-02 1.67121618463E-02 1.72666052000E-02 1.78390134272E-02 1.84299388499E-02 1.90399486676E-02 1.96696252026E-02 2.03195661369E-02 2.09903847386E-02 2.16827100764E-02 2.23971872208E-02 2.31344774296E-02 2.38952583171E-02 2.46802240026E-02 2.54900852390E-02 2.63255695158E-02 2.71874211369E-02 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