Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 11 6 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.50000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.50000000000 -1.02673521800 3P 3 1 3.00 0.00000000000 1.50000000000 -0.40474260100 0 Version Number P Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 5.00000000000 Z valence -15.12390290420 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 903 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 3.00 0.00000000000E+00 1.02169263909E-06 2.06055618223E-06 3.11687920930E-06 4.19095515016E-06 5.28308236614E-06 6.39356423293E-06 7.52270922487E-06 8.67083100059E-06 9.83824849021E-06 1.10252859838E-05 1.22322732218E-05 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2.36759522920E-01 2.60901054462E-01 2.86195160972E-01 3.12602734579E-01 3.40069522929E-01 3.68524472185E-01 3.97878034001E-01 4.28020455755E-01 4.58820088158E-01 4.90121743812E-01 5.21745151906E-01 5.53483562601E-01 5.85102559401E-01 6.16339154575E-01 6.46901244480E-01 6.76467521036E-01 7.04687937389E-01 7.31184845111E-01 7.55554921082E-01 7.77372019474E-01 7.96191081715E-01 8.11553249405E-01 8.22992315297E-01 8.30042650126E-01 8.32248721305E-01 8.29176302451E-01 8.20425437948E-01 8.05645175571E-01 7.84550024475E-01 7.56938003621E-01 7.22710051742E-01 6.81890430837E-01 6.34647609190E-01 5.81314914640E-01 5.22410044109E-01 4.58652260711E-01 3.90975849582E-01 3.20538101815E-01 2.48719805419E-01 1.77115918289E-01 1.07513837242E-01 4.18564735454E-02 -1.78127594707E-02 -6.94258677434E-02 -1.10989638091E-01 -1.40710332634E-01 -1.57144550168E-01 -1.59375439955E-01 -1.47211101913E-01 -1.21398753011E-01 -8.38439559008E-02 -3.78187071225E-02 1.18645878771E-02 5.87443014477E-02 9.47061422692E-02 1.10135089159E-01 9.42821726442E-02 3.59130610923E-02 -7.56917877053E-02 -2.49321815902E-01 -4.89963924504E-01 -7.96477741041E-01 -1.15890965086E+00 -1.55568288980E+00 -1.95113667846E+00 -2.29425426368E+00 -2.51997630426E+00 -2.55532500988E+00 -2.33377117661E+00 -1.82309597440E+00 -1.07389159513E+00 -3.05404054811E-01 7.61839689647E-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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 -5.42614776132E-01 1 2 5.88393594963E+00 2 2 -4.84814085048E+00 3 3 -1.85685211830E+00 3 4 3.89202558354E+00 4 4 -8.47836588782E-01 5 5 1.53212206454E+01 5 6 -1.52431725097E+01 6 6 1.50304379568E+01 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)) -6.64741890156E-01 Q_int 0.00000000000E+00 -8.52436072829E-12 -3.46729035328E-11 -7.93343439684E-11 -1.43432417092E-10 -2.27927146742E-10 -3.33816159227E-10 -4.62136042941E-10 -6.13963755500E-10 -7.90418080024E-10 -9.92661132256E-10 -1.22189992028E-09 -1.47938795860E-09 -1.76642693856E-09 -2.08436845684E-09 -2.43461580427E-09 -2.81862581686E-09 -3.23791079117E-09 -3.69404046644E-09 -4.18864407543E-09 -4.72341246672E-09 -5.30010030056E-09 -5.92052832104E-09 -6.58658570707E-09 -7.30023250498E-09 -8.06350214537E-09 -8.87850404727E-09 -9.74742631255E-09 -1.06725385136E-08 -1.16561945774E-08 -1.27008357698E-08 -1.38089937828E-08 -1.49832939282E-08 -1.62264584427E-08 -1.75413099060E-08 -1.89307747782E-08 -2.03978870581E-08 -2.19457920694E-08 -2.35777503757E-08 -2.52971418323E-08 -2.71074697771E-08 -2.90123653653E-08 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