Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 10.00000000000 1.20000000000 -1.75764415929 2P 2 1 4.00 10.00000000000 1.20000000000 -0.66424905639 0 Version Number O Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 6.00000000000 Z valence -31.58756338707 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 737 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 4.00 0.00000000000E+00 5.29635113499E-06 1.06832360010E-05 1.61622021457E-05 2.17348235702E-05 2.74027011807E-05 3.31674632488E-05 3.90307658791E-05 4.49942934849E-05 5.10597592724E-05 5.72289057325E-05 6.35035051415E-05 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5.73301120373E-03 6.21690370363E-03 6.73634298347E-03 7.29374715464E-03 7.89168760605E-03 8.53289788715E-03 9.22028276022E-03 9.95692801634E-03 1.07461102331E-02 1.15913074214E-02 1.24962098221E-02 1.34647311371E-02 1.45010203898E-02 1.56094738683E-02 1.67947477849E-02 1.80617711414E-02 1.94157589642E-02 2.08622259973E-02 2.24070005645E-02 2.40562387468E-02 2.58164388680E-02 2.76944559125E-02 2.96975163341E-02 3.18332325994E-02 3.41096177934E-02 3.65351000822E-02 3.91185366040E-02 4.18692273380E-02 4.47969278833E-02 4.79118617623E-02 5.12247316224E-02 5.47467291921E-02 5.84895437456E-02 6.24653688117E-02 6.66869067392E-02 7.11673708741E-02 7.59204847318E-02 8.09604780741E-02 8.63020789781E-02 9.19605017710E-02 9.79514299626E-02 1.04290993645E-01 1.10995740681E-01 1.18082600889E-01 1.25568842423E-01 1.33472019309E-01 1.41809909629E-01 1.50600442597E-01 1.59861614199E-01 1.69611389607E-01 1.79867591565E-01 1.90647773069E-01 2.01969073272E-01 2.13848054885E-01 2.26300521833E-01 2.39341315389E-01 2.52984087301E-01 2.67241048393E-01 2.82122690735E-01 2.97637482276E-01 3.13791531801E-01 3.30588223388E-01 3.48027818454E-01 3.66107024743E-01 3.84818530963E-01 4.04150506493E-01 4.24086066329E-01 4.44602700561E-01 4.65671670160E-01 4.87257369666E-01 5.09316659391E-01 5.31798170148E-01 5.54641584559E-01 5.77776900736E-01 6.01123684704E-01 6.24590320668E-01 6.48073268939E-01 6.71456344415E-01 6.94610030146E-01 7.17390843379E-01 7.39640774397E-01 7.61186821085E-01 7.81840646211E-01 8.01398386981E-01 8.19640651058E-01 8.36332736177E-01 8.51225115279E-01 8.64054231693E-01 8.74543653937E-01 8.82405641714E-01 8.87343178375E-01 8.89052526435E-01 8.87226364193E-01 8.81557560403E-01 8.71743641972E-01 8.57492004521E-01 8.38525908218E-01 8.14591289596E-01 7.85464404827E-01 7.50960298595E-01 7.10942066460E-01 6.65330844188E-01 6.14116416316E-01 5.57368285281E-01 4.95246982434E-01 4.28015331253E-01 3.56049291719E-01 2.79847921838E-01 2.00041889640E-01 1.17399856123E-01 3.28319309040E-02 -5.26107206210E-02 -1.37741159224E-01 -2.21247994165E-01 -3.01713985611E-01 -3.77643221956E-01 -4.47498167741E-01 -5.09747803716E-01 -5.62927901620E-01 -6.05714157966E-01 -6.37008413615E-01 -6.56037459288E-01 -6.62462921287E-01 -6.56499375353E-01 -6.39036094963E-01 -6.11755646802E-01 -5.77239861531E-01 -5.39050518095E-01 -5.01768416664E-01 -4.70970486790E-01 -4.53120407549E-01 -4.55344303681E-01 -4.85060077285E-01 -5.49427863389E-01 -6.54591492136E-01 -8.04688979360E-01 -1.00062722292E+00 -1.23864694666E+00 -1.50875428222E+00 -1.79629139199E+00 -2.07546811159E+00 -2.31050515377E+00 -2.45711525613E+00 -2.46611779000E+00 -2.29133790285E+00 -1.90419447455E+00 -1.31876494327E+00 -6.29773891476E-01 -9.52257473667E-02 7.50851562104E-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 6 Number of nonzero Dij 1 1 2.38454685471E+00 1 2 1.54408765025E-01 2 2 -3.46445135672E-01 3 3 5.70078789766E+01 3 4 -4.17638546484E+01 4 4 3.04515934012E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 1 1 0 i j (l(j)) -2.86986984750E-01 Q_int 0.00000000000E+00 -3.48484233028E-10 -1.41786616201E-09 -3.24511925638E-09 -5.86869893631E-09 -9.32859720982E-09 -1.36663992543E-08 -1.89253420105E-08 -2.51503748592E-08 -3.23882224539E-08 -4.06874497846E-08 -5.00985295507E-08 -6.06739119235E-08 -7.24680967834E-08 -8.55377085153E-08 -9.99415734550E-08 -1.15740800076E-07 -1.32998862017E-07 -1.51781684040E-07 -1.72157731037E-07 -1.94198100171E-07 -2.17976616282E-07 -2.43569930659E-07 -2.71057623290E-07 -3.00522308736E-07 -3.32049745720E-07 -3.65728950596E-07 -4.01652314806E-07 -4.39915726479E-07 -4.80618696310E-07 -5.23864487872E-07 -5.69760252514E-07 -6.18417168999E-07 -6.69950588056E-07 -7.24480182017E-07 -7.82130099702E-07 -8.43029126757E-07 -9.07310851608E-07 -9.75113837259E-07 -1.04658179910E-06 -1.12186378897E-06 -1.20111438566E-06 -1.28449389211E-06 -1.37216853951E-06 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