Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 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 -1.02290295500 3P 3 1 3.00 0.00000000000 1.50000000000 -0.40275287900 0 Version Number P Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 5.00000000000 Z valence -15.05651865160 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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2.47966589343E-01 2.72279133307E-01 2.97734714191E-01 3.24293530641E-01 3.51900667421E-01 3.80484446255E-01 4.09954740388E-01 4.40201272560E-01 4.71091929659E-01 5.02471127990E-01 5.34158273577E-01 5.65946370816E-01 5.97600837679E-01 6.28858601522E-01 6.59427552472E-01 6.88986449705E-01 7.17185378336E-01 7.43646873527E-01 7.67967829752E-01 7.89722329515E-01 8.08465524679E-01 8.23738714170E-01 8.35075753614E-01 8.42010934042E-01 8.44088446143E-01 8.40873529343E-01 8.31965370655E-01 8.17011767843E-01 7.95725515708E-01 7.67902383509E-01 7.33440457400E-01 6.92360484646E-01 6.44826710172E-01 5.91167502903E-01 5.31894864876E-01 4.67721663251E-01 3.99575165595E-01 3.28605158912E-01 2.56184641934E-01 1.83900777977E-01 1.13533533458E-01 4.70192227450E-02 -1.36039262586E-02 -6.62710028447E-02 -1.08988972117E-01 -1.39960462409E-01 -1.57733634683E-01 -1.61377351525E-01 -1.50678529635E-01 -1.26355327138E-01 -9.02755583991E-02 -4.56642613888E-02 2.72239506453E-03 4.84877171842E-02 8.35895840200E-02 9.84897827990E-02 8.25167778270E-02 2.45086021280E-02 -8.61945885030E-02 -2.58344818645E-01 -4.96925392435E-01 -8.00839198523E-01 -1.16023631505E+00 -1.55371643197E+00 -1.94587611448E+00 -2.28603609605E+00 -2.50953798660E+00 -2.54382543087E+00 -2.32272716277E+00 -1.81417209001E+00 -1.06846152418E+00 -3.03672465330E-01 7.54229248671E-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 -5.32493265793E-01 1 2 5.87846664650E+00 2 2 -4.70689334578E+00 3 3 -1.80062688786E+00 3 4 3.86439516207E+00 4 4 -7.43926503008E-01 5 5 1.54210248027E+01 5 6 -1.54296420979E+01 6 6 1.53073634948E+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)) -6.65535042120E-01 Q_int 0.00000000000E+00 -8.54964069754E-12 -3.47757300043E-11 -7.95696190629E-11 -1.43857782372E-10 -2.28603090833E-10 -3.34806129327E-10 -4.63506560371E-10 -6.15784535422E-10 -7.92762155479E-10 -9.95604982674E-10 -1.22552360461E-09 -1.48377525324E-09 -1.77166548020E-09 -2.09054989051E-09 -2.44183593662E-09 -2.82698477493E-09 -3.24751318692E-09 -3.70499556703E-09 -4.20106597975E-09 -4.73742028802E-09 -5.31581835576E-09 -5.93808632667E-09 -6.60611898226E-09 -7.32188218157E-09 -8.08741538560E-09 -8.90483426909E-09 -9.77633342298E-09 -1.07041891503E-08 -1.16907623589E-08 -1.27385015546E-08 -1.38499459372E-08 -1.50277286044E-08 -1.62745798657E-08 -1.75933306718E-08 -1.89869161614E-08 -2.04583793310E-08 -2.20108748320E-08 -2.36476728977E-08 -2.53721634069E-08 -2.71878600867E-08 -2.90984048611E-08 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