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 2.32399141017E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5P 5 1 6.00 0.00000000000 1.60000000000 -4.33943643400 5D 5 2 9.50 0.00000000000 1.60000000000 -0.69141677800 6S 6 0 0.00 0.00000000000 2.45000000000 -0.66563027500 6P 6 1 0.00 0.00000000000 1.60000000000 -0.25692288800 0 Version Number Pt Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 16.00000000000 Z valence -209.99244520600 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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-1.53117459298E-01 -2.81543656871E-01 -4.03219161895E-01 -5.12430678079E-01 -6.03666316128E-01 -6.71549825611E-01 -7.11640823226E-01 -7.20491393263E-01 -6.96627022051E-01 -6.40645804976E-01 -5.56226983362E-01 -4.50013190083E-01 -3.32213002925E-01 -2.15608112736E-01 -1.14761361221E-01 -4.27228311786E-02 -6.80247952813E-03 -1.06489466318E-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 4.59380834185E+00 1 2 2.79587467641E+00 2 2 3.52299148785E+00 3 3 1.53151522814E+00 3 4 5.41787380928E+00 4 4 9.05959354660E+00 5 5 1.48402968329E-02 5 6 -1.89655455938E+00 6 6 8.71025020219E+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)) -2.97483209331E-01 Q_int 0.00000000000E+00 1.30259107668E-13 5.29829933113E-13 1.21229276686E-12 2.19176302569E-12 3.48291064825E-12 5.10098016925E-12 7.06181149555E-12 9.38186140828E-12 1.20782258160E-11 1.51686627848E-11 1.86716163719E-11 2.26062412903E-11 2.69924284337E-11 3.18508312900E-11 3.72028932753E-11 4.30708760190E-11 4.94778886331E-11 5.64479179995E-11 6.40058601098E-11 7.21775524945E-11 8.09898077782E-11 9.04704484000E-11 1.00648342539E-10 1.11553441283E-10 1.23216817095E-10 1.35670703600E-10 1.48948536761E-10 1.63084997475E-10 1.78116055648E-10 1.94079015793E-10 2.11012564207E-10 2.28956817775E-10 2.47953374472E-10 2.68045365596E-10 2.89277509819E-10 3.11696169096E-10 3.35349406511E-10 3.60287046113E-10 3.86560734821E-10 4.14224006466E-10 4.43332348038E-10 4.73943268216E-10 5.06116368267E-10 5.39913415380E-10 5.75398418528E-10 6.12637706948E-10 6.51700011315E-10 6.92656547719E-10 7.35581104519E-10 7.80550132197E-10 8.27642836300E-10 8.76941273570E-10 9.28530451387E-10 9.82498430626E-10 1.03893643205E-09 1.09793894636E-09 1.15960384802E-09 1.22403251296E-09 1.29132994043E-09 1.36160487887E-09 1.43496995625E-09 1.51154181477E-09 1.59144125026E-09 1.67479335634E-09 1.76172767348E-09 1.85237834322E-09 1.94688426764E-09 2.04538927435E-09 2.14804228705E-09 2.25499750203E-09 2.36641457059E-09 2.48245878786E-09 2.60330128794E-09 2.72911924582E-09 2.86009608617E-09 2.99642169926E-09 3.13829266430E-09 3.28591248042E-09 3.43949180553E-09 3.59924870332E-09 3.76540889882E-09 3.93820604255E-09 4.11788198378E-09 4.30468705316E-09 4.49888035494E-09 4.70073006918E-09 4.91051376435E-09 5.12851872054E-09 5.35504226375E-09 5.59039211156E-09 5.83488673067E-09 6.08885570654E-09 6.35264012577E-09 6.62659297144E-09 6.91107953200E-09 7.20647782407E-09 7.51317902970E-09 7.83158794856E-09 8.16212346548E-09 8.50521903407E-09 8.86132317666E-09 9.23090000151E-09 9.61442973741E-09 1.00124092867E-08 1.04253527972E-08 1.08537922532E-08 1.12982780871E-08 1.17593798120E-08 1.22376866750E-08 1.27338083336E-08 1.32483755551E-08 1.37820409390E-08 1.43354796653E-08 1.49093902671E-08 1.55044954303E-08 1.61215428201E-08 1.67613059360E-08 1.74245849952E-08 1.81122078476E-08 1.88250309198E-08 1.95639401933E-08 2.03298522147E-08 2.11237151407E-08 2.19465098186E-08 2.27992509042E-08 2.36829880163E-08 2.45988069320E-08 2.55478308220E-08 2.65312215277E-08 2.75501808825E-08 2.86059520771E-08 2.96998210719E-08 3.08331180578E-08 3.20072189653E-08 3.32235470267E-08 3.44835743899E-08 3.57888237880E-08 3.71408702656E-08 3.85413429635E-08 3.99919269640E-08 4.14943651994E-08 4.30504604253E-08 4.46620772607E-08 4.63311442973E-08 4.80596562815E-08 4.98496763694E-08 5.17033384590E-08 5.36228496020E-08 5.56104924967E-08 5.76686280665E-08 5.97996981255E-08 6.20062281350E-08 6.42908300536E-08 6.66562052836E-08 6.91051477188E-08 7.16405468945E-08 7.42653912453E-08 7.69827714733E-08 7.97958840312E-08 8.27080347227E-08 8.57226424267E-08 8.88432429466E-08 9.20734929912E-08 9.54171742905E-08 9.88781978514E-08 1.02460608358E-07 1.06168588722E-07 1.10006464785E-07 1.13978710185E-07 1.18089951383E-07 1.22344972865E-07 1.26748722519E-07 1.31306317191E-07 1.36023048436E-07 1.40904388461E-07 1.45955996267E-07 1.51183724006E-07 1.56593623549E-07 1.62191953276E-07 1.67985185105E-07 1.73980011745E-07 1.80183354213E-07 1.86602369587E-07 1.93244459042E-07 2.00117276142E-07 2.07228735423E-07 2.14587021263E-07 2.22200597059E-07 2.30078214708E-07 2.38228924410E-07 2.46662084816E-07 2.55387373503E-07 2.64414797816E-07 2.73754706075E-07 2.83417799161E-07 2.93415142497E-07 3.03758178437E-07 3.14458739070E-07 3.25529059462E-07 3.36981791352E-07 3.48830017303E-07 3.61087265339E-07 3.73767524080E-07 3.86885258387E-07 4.00455425542E-07 4.14493491969E-07 4.29015450533E-07 4.44037838418E-07 4.59577755615E-07 4.75652884035E-07 4.92281507277E-07 5.09482531054E-07 5.27275504327E-07 5.45680641144E-07 5.64718843227E-07 5.84411723321E-07 6.04781629338E-07 6.25851669321E-07 6.47645737249E-07 6.70188539723E-07 6.93505623559E-07 7.17623404307E-07 7.42569195748E-07 7.68371240390E-07 7.95058740989E-07 8.22661893154E-07 8.51211919045E-07 8.80741102219E-07 9.11282823664E-07 9.42871599041E-07 9.75543117205E-07 1.00933428002E-06 1.04428324353E-06 1.08042946054E-06 1.11781372459E-06 1.15647821550E-06 1.19646654640E-06 1.23782381236E-06 1.28059664070E-06 1.32483324299E-06 1.37058346877E-06 1.41789886119E-06 1.46683271446E-06 1.51744013325E-06 1.56977809414E-06 1.62390550912E-06 1.67988329128E-06 1.73777442272E-06 1.79764402469E-06 1.85955943024E-06 1.92359025922E-06 1.98980849588E-06 2.05828856907E-06 2.12910743522E-06 2.20234466402E-06 2.27808252716E-06 2.35640608992E-06 2.43740330597E-06 2.52116511538E-06 2.60778554588E-06 2.69736181764E-06 2.78999445152E-06 2.88578738111E-06 2.98484806839E-06 3.08728762352E-06 3.19322092849E-06 3.30276676512E-06 3.41604794734E-06 3.53319145790E-06 3.65432858982E-06 3.77959509257E-06 3.90913132318E-06 4.04308240257E-06 4.18159837709E-06 4.32483438558E-06 4.47295083205E-06 4.62611356430E-06 4.78449405849E-06 4.94826961006E-06 5.11762353103E-06 5.29274535409E-06 5.47383104353E-06 5.66108321334E-06 5.85471135273E-06 6.05493205926E-06 6.26196927990E-06 6.47605456022E-06 6.69742730210E-06 6.92633503008E-06 7.16303366683E-06 7.40778781790E-06 7.66087106611E-06 7.92256627599E-06 8.19316590847E-06 8.47297234626E-06 8.76229823025E-06 9.06146680734E-06 9.37081229001E-06 9.69068022813E-06 1.00214278933E-05 1.03634246764E-05 1.07170524982E-05 1.10827062344E-05 1.14607941548E-05 1.18517383772E-05 1.22559753372E-05 1.26739562733E-05 1.31061477286E-05 1.35530320702E-05 1.40151080250E-05 1.44928912345E-05 1.49869148286E-05 1.54977300175E-05 1.60259067054E-05 1.65720341239E-05 1.71367214870E-05 1.77205986685E-05 1.83243169023E-05 1.89485495064E-05 1.95939926314E-05 2.02613660343E-05 2.09514138787E-05 2.16649055619E-05 2.24026365701E-05 2.31654293629E-05 2.39541342868E-05 2.47696305208E-05 2.56128270535E-05 2.64846636929E-05 2.73861121111E-05 2.83181769241E-05 2.92818968080E-05 3.02783456531E-05 3.13086337574E-05 3.23739090599E-05 3.34753584160E-05 3.46142089165E-05 3.57917292504E-05 3.70092311142E-05 3.82680706695E-05 3.95696500487E-05 4.09154189132E-05 4.23068760627E-05 4.37455711004E-05 4.52331061536E-05 4.67711376531E-05 4.83613781725E-05 5.00055983298E-05 5.17056287535E-05 5.34633621149E-05 5.52807552295E-05 5.71598312295E-05 5.91026818092E-05 6.11114695472E-05 6.31884303065E-05 6.53358757162E-05 6.75561957367E-05 6.98518613119E-05 7.22254271112E-05 7.46795343638E-05 7.72169137893E-05 7.98403886268E-05 8.25528777673E-05 8.53573989904E-05 8.82570723122E-05 9.12551234449E-05 9.43548873743E-05 9.75598120570E-05 1.00873462244E-04 1.04299523431E-04 1.07841805947E-04 1.11504249173E-04 1.15290925912E-04 1.19206046898E-04 1.23253965468E-04 1.27439182376E-04 1.31766350786E-04 1.36240281423E-04 1.40865947901E-04 1.45648492231E-04 1.50593230510E-04 1.55705658813E-04 1.60991459270E-04 1.66456506358E-04 1.72106873398E-04 1.77948839278E-04 1.83988895394E-04 1.90233752833E-04 1.96690349789E-04 2.03365859240E-04 2.10267696870E-04 2.17403529268E-04 2.24781282400E-04 2.32409150360E-04 2.40295604423E-04 2.48449402399E-04 2.56879598299E-04 2.65595552331E-04 2.74606941222E-04 2.83923768901E-04 2.93556377524E-04 3.03515458881E-04 3.13812066180E-04 3.24457626223E-04 3.35463952001E-04 3.46843255694E-04 3.58608162122E-04 3.70771722636E-04 3.83347429477E-04 3.96349230612E-04 4.09791545073E-04 4.23689278796E-04 4.38057841002E-04 4.52913161110E-04 4.68271706228E-04 4.84150499217E-04 5.00567137359E-04 5.17539811644E-04 5.35087326706E-04 5.53229121410E-04 5.71985290129E-04 5.91376604731E-04 6.11424537283E-04 6.32151283518E-04 6.53579787075E-04 6.75733764537E-04 6.98637731304E-04 7.22317028313E-04 7.46797849641E-04 7.72107271024E-04 7.98273279303E-04 8.25324802847E-04 8.53291742975E-04 8.82205006406E-04 9.12096538770E-04 9.42999359225E-04 9.74947596198E-04 1.00797652429E-03 1.04212260241E-03 1.07742351310E-03 1.11391820319E-03 1.15164692574E-03 1.19065128338E-03 1.23097427300E-03 1.27266033190E-03 1.31575538549E-03 1.36030689642E-03 1.40636391538E-03 1.45397713348E-03 1.50319893632E-03 1.55408345981E-03 1.60668664770E-03 1.66106631102E-03 1.71728218940E-03 1.77539601424E-03 1.83547157398E-03 1.89757478139E-03 1.96177374292E-03 2.02813883033E-03 2.09674275445E-03 2.16766064129E-03 2.24097011052E-03 2.31675135632E-03 2.39508723079E-03 2.47606332988E-03 2.55976808194E-03 2.64629283900E-03 2.73573197079E-03 2.82818296162E-03 2.92374651015E-03 3.02252663216E-03 3.12463076638E-03 3.23016988343E-03 3.33925859801E-03 3.45201528436E-03 3.56856219502E-03 3.68902558315E-03 3.81353582824E-03 3.94222756549E-03 4.07523981880E-03 4.21271613755E-03 4.35480473714E-03 4.50165864351E-03 4.65343584145E-03 4.81029942716E-03 4.97241776470E-03 5.13996464676E-03 5.31311945956E-03 5.49206735210E-03 5.67699940969E-03 5.86811283195E-03 6.06561111523E-03 6.26970423946E-03 6.48060885964E-03 6.69854850177E-03 6.92375376347E-03 7.15646251909E-03 7.39692012952E-03 7.64537965651E-03 7.90210208170E-03 8.16735653004E-03 8.44142049792E-03 8.72458008562E-03 9.01713023427E-03 9.31937496704E-03 9.63162763463E-03 9.95421116480E-03 1.02874583159E-02 1.06317119339E-02 1.09873252139E-02 1.13546619633E-02 1.17340968702E-02 1.21260157730E-02 1.25308159329E-02 1.29489063093E-02 1.33807078359E-02 1.38266536985E-02 1.42871896141E-02 1.47627741098E-02 1.52538788009E-02 1.57609886691E-02 1.62846023384E-02 1.68252323483E-02 1.73834054242E-02 1.79596627428E-02 1.85545601931E-02 1.91686686302E-02 1.98025741215E-02 2.04568781847E-02 2.11321980139E-02 2.18291666958E-02 2.25484334101E-02 2.32906636163E-02 2.40565392218E-02 2.48467587312E-02 2.56620373735E-02 2.65031072056E-02 2.73707171878E-02 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