Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.40000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 0.00000000000 1.65000000000 -2.30656420100 5S 5 0 1.50 0.00000000000 1.80000000000 -1.44333942900 5P 5 1 0.00 0.00000000000 2.00000000000 -0.92080231100 0 Version Number In Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 13.00000000000 Z valence -131.83686584400 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 889 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 1.50 5P 1 0.00 0.00000000000E+00 1.16776553801E-09 2.36509320137E-09 3.59273135882E-09 4.85144732420E-09 6.14202783594E-09 7.46527954888E-09 8.82202953842E-09 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0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 5.69769457341E+00 1 2 1.58761221812E+00 2 2 3.61626763849E-01 3 3 7.37392856351E-02 3 4 -3.47780450663E+00 4 4 1.81735789114E+00 5 5 7.34214372737E-01 5 6 -3.60445312127E+00 6 6 1.44005630461E+01 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.40000000000E+00 2 1.40000000000E+00 3 1.40000000000E+00 4 1.40000000000E+00 5 1.40000000000E+00 1 1 0 i j (l(j)) -2.19512035219E-01 Q_int 0.00000000000E+00 1.02037241848E-17 4.18546698802E-17 9.65821548845E-17 1.76112443204E-16 2.82274055052E-16 4.17003357682E-16 5.82350451696E-16 7.80485368162E-16 1.01370459275E-15 1.28443793386E-15 1.59525575258E-15 1.94887657342E-15 2.34817509536E-15 2.79619062425E-15 3.29613594824E-15 3.85140667929E-15 4.46559108499E-15 5.14248043607E-15 5.88607989626E-15 6.70061998275E-15 7.59056862673E-15 8.56064386506E-15 9.61582719591E-15 1.07613776325E-14 1.20028464912E-14 1.33460929524E-14 1.47973004329E-14 1.63629938136E-14 1.80500575649E-14 1.98657548176E-14 2.18177474278E-14 2.39141170860E-14 2.61633875265E-14 2.85745478925E-14 3.11570773163E-14 3.39209707788E-14 3.68767663129E-14 4.00355736210E-14 4.34091041794E-14 4.70097029062E-14 5.08503814733E-14 5.49448533482E-14 5.93075706528E-14 6.39537629356E-14 6.88994779538E-14 7.41616245696E-14 7.97580178705E-14 8.57074266265E-14 9.20296232070E-14 9.87454360812E-14 1.05876805038E-13 1.13446839265E-13 1.21479878428E-13 1.30001556919E-13 1.39038871423E-13 1.48620251973E-13 1.58775636692E-13 1.69536550390E-13 1.80936187220E-13 1.93009497616E-13 2.05793279711E-13 2.19326275484E-13 2.33649271873E-13 2.48805207101E-13 2.64839282497E-13 2.81799080093E-13 2.99734686278E-13 3.18698821842E-13 3.38746978727E-13 3.59937563830E-13 3.82332050220E-13 4.05995136163E-13 4.30994912334E-13 4.57403037658E-13 4.85294924209E-13 5.14749931643E-13 5.45851571647E-13 5.78687722926E-13 6.13350857261E-13 6.49938277216E-13 6.88552366086E-13 7.29300850721E-13 7.72297077879E-13 8.17660304815E-13 8.65516004821E-13 9.15996188508E-13 9.69239741613E-13 1.02539278020E-12 1.08460902413E-12 1.14705018979E-12 1.21288640295E-12 1.28229663295E-12 1.35546914914E-12 1.43260200092E-12 1.51390352229E-12 1.59959286255E-12 1.68990054414E-12 1.78506904923E-12 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