Generated using Vanderbilt code, version 7 3 4 Author: Bernd Meyer Generation date: 11 2 2003 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 8.00000000000E-01 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 1.00 10.00000000000 0.80000000000 -0.47719090823 0 Version Number H Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 1.00000000000 Z valence -0.91748955061 Total energy 25.000000 100.0000000 Suggested cutoff for wfc and rho 0 Max angular momentum component 615 Number of points in mesh 1 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 1.00 0.00000000000E+00 4.23708090800E-05 8.54658880079E-05 1.29297617166E-04 1.73878588562E-04 2.19221609446E-04 2.65339705991E-04 3.12246127033E-04 3.59954347880E-04 4.08478074179E-04 4.57831245860E-04 5.08028041132E-04 5.59082880565E-04 6.11010431224E-04 6.63825610891E-04 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-5.06309211261E-01 -5.30895776346E-01 -5.55148542988E-01 -5.78920216150E-01 -6.02049205180E-01 -6.24358911483E-01 -6.45657050225E-01 -6.65735021309E-01 -6.84367345226E-01 -7.01311187083E-01 -7.16305987153E-01 -7.29073228321E-01 -7.39316368220E-01 -7.46720970401E-01 -7.50955073179E-01 -7.51669838576E-01 -7.48500530151E-01 -7.41067872554E-01 -7.28979851666E-01 -7.11834021106E-01 -6.89220384796E-01 -6.60724933163E-01 -6.25933915442E-01 -5.84438936177E-01 -5.35842968615E-01 -4.79767382737E-01 -4.15860086160E-01 -3.43804878763E-01 -2.63332117748E-01 -1.74230786986E-01 -7.63620499365E-02 3.03256448474E-02 1.45779865618E-01 2.69825895380E-01 4.02146860980E-01 5.42262386891E-01 6.89505943639E-01 8.43001159834E-01 1.00163749264E+00 1.16404580979E+00 1.32857463449E+00 1.49326805229E+00 1.65584658333E+00 1.81369270014E+00 1.96384313157E+00 2.10299065640E+00 2.22749877498E+00 2.33343347860E+00 2.41661734086E+00 2.47271237140E+00 2.49733953113E+00 2.48624456852E+00 2.43552194253E+00 2.34191112414E+00 2.20318258929E+00 2.01863442422E+00 1.78972476969E+00 1.52087046786E+00 1.22044836180E+00 9.02043249562E-01 5.85992563142E-01 3.01313196695E-01 8.78665449687E-02 9.64289932509E-04 -9.41616000786E-05 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 1 Number of nonzero Dij 1 1 -4.63365067404E-01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 1 1 0 i j (l(j)) 2.69417219698E-01 Q_int 0.00000000000E+00 1.98808187829E-08 8.08884214081E-08 1.85132115673E-07 3.34805748405E-07 5.32190821611E-07 7.79659719459E-07 1.07967904996E-06 1.43481310538E-06 1.84772744547E-06 2.32119260790E-06 2.85808795025E-06 3.46140562818E-06 4.13425471457E-06 4.87986546450E-06 5.70159373112E-06 6.60292553780E-06 7.58748181188E-06 8.65902328567E-06 9.82145557062E-06 1.10788344106E-05 1.24353711204E-05 1.38954382163E-05 1.54635752450E-05 1.71444948178E-05 1.89430888577E-05 2.08644350656E-05 2.29138036155E-05 2.50966640832E-05 2.74186926207E-05 2.98857793811E-05 3.25040362047E-05 3.52798045762E-05 3.82196638589E-05 4.13304398201E-05 4.46192134537E-05 4.80933301133E-05 5.17604089642E-05 5.56283527678E-05 5.97053580071E-05 6.39999253678E-05 6.85208705851E-05 7.32773356706E-05 7.82788005310E-05 8.35350949930E-05 8.90564112484E-05 9.48533167334E-05 1.00936767457E-04 1.07318121797E-04 1.14009154770E-04 1.21022072810E-04 1.28369529051E-04 1.36064639150E-04 1.44120997653E-04 1.52552694940E-04 1.61374334751E-04 1.70601052327E-04 1.80248533177E-04 1.90333032504E-04 2.00871395297E-04 2.11881077125E-04 2.23380165657E-04 2.35387402918E-04 2.47922208325E-04 2.61004702521E-04 2.74655732030E-04 2.88896894765E-04 3.03750566431E-04 3.19239927825E-04 3.35388993088E-04 3.52222638937E-04 3.69766634901E-04 3.88047674598E-04 4.07093408106E-04 4.26932475432E-04 4.47594541148E-04 4.69110330214E-04 4.91511665042E-04 5.14831503824E-04 5.39103980190E-04 5.64364444223E-04 5.90649504887E-04 6.17997073909E-04 6.46446411169E-04 6.76038171646E-04 7.06814453975E-04 7.38818850665E-04 7.72096500034E-04 8.06694139931E-04 8.42660163279E-04 8.80044675528E-04 9.18899554064E-04 9.59278509644E-04 1.00123714993E-03 1.04483304516E-03 1.09012579612E-03 1.13717710434E-03 1.18605084473E-03 1.23681314067E-03 1.28953244164E-03 1.34427960349E-03 1.40112797140E-03 1.46015346568E-03 1.52143467043E-03 1.58505292523E-03 1.65109241987E-03 1.71964029232E-03 1.79078672996E-03 1.86462507417E-03 1.94125192857E-03 2.02076727067E-03 2.10327456743E-03 2.18888089461E-03 2.27769706005E-03 2.36983773117E-03 2.46542156659E-03 2.56457135215E-03 2.66741414150E-03 2.77408140122E-03 2.88470916083E-03 2.99943816767E-03 3.11841404690E-03 3.24178746675E-03 3.36971430915E-03 3.50235584595E-03 3.63987892088E-03 3.78245613741E-03 3.93026605266E-03 4.08349337771E-03 4.24232918415E-03 4.40697111748E-03 4.57762361722E-03 4.75449814408E-03 4.93781341436E-03 5.12779564180E-03 5.32467878706E-03 5.52870481507E-03 5.74012396045E-03 5.95919500118E-03 6.18618554087E-03 6.42137229974E-03 6.66504141450E-03 6.91748874755E-03 7.17902020556E-03 7.44995206769E-03 7.73061132383E-03 8.02133602287E-03 8.32247563147E-03 8.63439140341E-03 8.95745675981E-03 9.29205768055E-03 9.63859310694E-03 9.99747535610E-03 1.03691305470E-02 1.07539990390E-02 1.11525358819E-02 1.15652112792E-02 1.19925110642E-02 1.24349371881E-02 1.28930082222E-02 1.33672598730E-02 1.38582455109E-02 1.43665367125E-02 1.48927238165E-02 1.54374164941E-02 1.60012443330E-02 1.65848574352E-02 1.71889270302E-02 1.78141461006E-02 1.84612300237E-02 1.91309172261E-02 1.98239698528E-02 2.05411744501E-02 2.12833426627E-02 2.20513119440E-02 2.28459462798E-02 2.36681369253E-02 2.45188031541E-02 2.53988930198E-02 2.63093841293E-02 2.72512844264E-02 2.82256329863E-02 2.92335008188E-02 3.02759916805E-02 3.13542428937E-02 3.24694261725E-02 3.36227484522E-02 3.48154527234E-02 3.60488188665E-02 3.73241644873E-02 3.86428457491E-02 4.00062582008E-02 4.14158375982E-02 4.28730607153E-02 4.43794461429E-02 4.59365550710E-02 4.75459920522E-02 4.92094057411E-02 5.09284896060E-02 5.27049826082E-02 5.45406698444E-02 5.64373831450E-02 5.83970016245E-02 6.04214521763E-02 6.25127099045E-02 6.46727984867E-02 6.69037904579E-02 6.92078074077E-02 7.15870200808E-02 7.40436483710E-02 7.65799611967E-02 7.91982762470E-02 8.19009595846E-02 8.46904250926E-02 8.75691337497E-02 9.05395927184E-02 9.36043542280E-02 9.67660142368E-02 1.00027210850E-01 1.03390622479E-01 1.06858965706E-01 1.10434992856E-01 1.14121489216E-01 1.17921269908E-01 1.21837176365E-01 1.25872072386E-01 1.30028839748E-01 1.34310373320E-01 1.38719575664E-01 1.43259351072E-01 1.47932599002E-01 1.52742206876E-01 1.57691042190E-01 1.62781943890E-01 1.68017712973E-01 1.73401102249E-01 1.78934805227E-01 1.84621444068E-01 1.90463556530E-01 1.96463581884E-01 2.02623845705E-01 2.08946543506E-01 2.15433723138E-01 2.22087265907E-01 2.28908866335E-01 2.35900010524E-01 2.43061953037E-01 2.50395692276E-01 2.57901944271E-01 2.65581114846E-01 2.73433270129E-01 2.81458105345E-01 2.89654911883E-01 2.98022542613E-01 3.06559375443E-01 3.15263275129E-01 3.24131553350E-01 3.33160927113E-01 3.42347475522E-01 3.51686595023E-01 3.61172953238E-01 3.70800441524E-01 3.80562126456E-01 3.90450200453E-01 4.00455931809E-01 4.10569614454E-01 4.20780517807E-01 4.31076837146E-01 4.41445644988E-01 4.51872844029E-01 4.62343122253E-01 4.72839910930E-01 4.83345346251E-01 4.93840235445E-01 5.04304028325E-01 5.14714795221E-01 5.25049212409E-01 5.35282556133E-01 5.45388706436E-01 5.55340162017E-01 5.65108067367E-01 5.74662253451E-01 5.83971293174E-01 5.93002572785E-01 6.01722380317E-01 6.10096011963E-01 6.18087897130E-01 6.25661742588E-01 6.32780695825E-01 6.39407527274E-01 6.45504830538E-01 6.51035239150E-01 6.55961657656E-01 6.60247503993E-01 6.63856959209E-01 6.66755219539E-01 6.68908744770E-01 6.70285495664E-01 6.70855152070E-01 6.70589302224E-01 6.69461592748E-01 6.67447828069E-01 6.64526007501E-01 6.60676288277E-01 6.55880863459E-01 6.50123745197E-01 6.43390446473E-01 6.35667558448E-01 6.26942226311E-01 6.17201534173E-01 6.06431819623E-01 5.94617951115E-01 5.81742616749E-01 5.67785691196E-01 5.52723768437E-01 5.36529971111E-01 5.19174171777E-01 5.00623785708E-01 4.80845316749E-01 4.59806853867E-01 4.37481721783E-01 4.13853478302E-01 3.88922415710E-01 3.62713654112E-01 3.35286798893E-01 3.06746959355E-01 2.77256676776E-01 2.47047974632E-01 2.16433312573E-01 1.85813699475E-01 1.55681617973E-01 1.26615782984E-01 9.92642008822E-02 7.43116972146E-02 5.24283487141E-02 3.41965924913E-02 2.00179821090E-02 1.00068329386E-02 3.88918530759E-03 9.44350708448E-04 5.68231157094E-05 -5.59307926218E-06 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 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 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 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 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 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 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 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 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