Generated using Vanderbilt code, version 7 3 4 Author: Bernd Meyer Generation date: 10 2 2003 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 1.10000000000 -1.75764501902 2P 2 1 4.00 10.00000000000 1.10000000000 -0.66424535521 0 Version Number O Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 6.00000000000 Z valence -31.58339463984 Total energy 25.000000 100.0000000 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 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-2.39294277532E-02 -1.07186599998E-02 3.49301591690E-03 1.87389705969E-02 3.50504776898E-02 5.24562130019E-02 7.09817021862E-02 9.06487145555E-02 1.11474600467E-01 1.33471570702E-01 1.56645915769E-01 1.80997164707E-01 2.06517182638E-01 2.33189207952E-01 2.60986830547E-01 2.89872914004E-01 3.19798466193E-01 3.50701463900E-01 3.82505640058E-01 4.15119243434E-01 4.48433784079E-01 4.82322780309E-01 5.16640526622E-01 5.51220905794E-01 5.85876272229E-01 6.20396438739E-01 6.54547803615E-01 6.88072660279E-01 7.20688737996E-01 7.52089027497E-01 7.81941952726E-01 8.09891955094E-01 8.35560564391E-01 8.58548035509E-01 8.78435636587E-01 8.94788678520E-01 9.07160379994E-01 9.15096663300E-01 9.18141976850E-01 9.15846236216E-01 9.07772968856E-01 8.93508735853E-01 8.72673886361E-01 8.44934676171E-01 8.10016748569E-01 7.67719933696E-01 7.17934268035E-01 6.60657069520E-01 5.96010821813E-01 5.24261524579E-01 4.45837051454E-01 3.61344924916E-01 2.71588765564E-01 1.77582504302E-01 8.05612598142E-02 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0.00000000000E+00 0.00000000000E+00 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 1.83805224452E+00 1 2 1.07797562917E+00 2 2 -1.69978033594E+00 3 3 5.94767882493E+01 3 4 -5.64537358741E+01 4 4 5.32735736067E+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)) -3.29468218357E-01 Q_int 0.00000000000E+00 -3.68355830490E-10 -1.49871706705E-09 -3.43016551532E-09 -6.20334943691E-09 -9.86054130209E-09 -1.44456975978E-08 -2.00045207628E-08 -2.65845233244E-08 -3.42350943141E-08 -4.30075680410E-08 -5.29552953073E-08 -6.41337171487E-08 -7.66004411900E-08 -9.04153207067E-08 -1.05640536487E-07 -1.22340681591E-07 -1.40582849113E-07 -1.60436723043E-07 -1.81974672342E-07 -2.05271848348E-07 -2.30406285614E-07 -2.57459006312E-07 -2.86514128324E-07 -3.17658977137E-07 -3.50984201697E-07 -3.86583894337E-07 -4.24555714938E-07 -4.65001019459E-07 -5.08024992998E-07 -5.53736787528E-07 -6.02249664494E-07 -6.53681142410E-07 -7.08153149657E-07 -7.65792182648E-07 -8.26729469549E-07 -8.91101139760E-07 -9.59048399331E-07 -1.03071771255E-06 -1.10626098992E-06 -1.18583578266E-06 -1.26960548414E-06 -1.35773953827E-06 -1.45041365526E-06 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