Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.70000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 10.00000000000 1.70000000000 -1.03051426016 3P 3 1 3.00 10.00000000000 1.70000000000 -0.41179335026 0 Version Number P Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 5.00000000000 Z valence -12.83143215335 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 807 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 2.82472060533E-06 5.69772586719E-06 8.61984114440E-06 1.15919059041E-05 1.46147739631E-05 1.76893137327E-05 2.08164084689E-05 2.39969565253E-05 2.72318716120E-05 3.05220830573E-05 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1.79693367072E-01 1.96851711648E-01 2.15049437289E-01 2.34303393132E-01 2.54624347801E-01 2.76015957984E-01 2.98473659121E-01 3.21983468621E-01 3.46520720091E-01 3.72048719499E-01 3.98517349369E-01 4.25861619661E-01 4.54000195549E-01 4.82833914071E-01 5.12244327668E-01 5.42092298357E-01 5.72216695103E-01 6.02433230816E-01 6.32533509382E-01 6.62284334760E-01 6.91427371282E-01 7.19679226477E-01 7.46732064884E-01 7.72254840275E-01 7.95895277234E-01 8.17282701006E-01 8.36031856089E-01 8.51747828708E-01 8.64032195732E-01 8.72490521965E-01 8.76741289874E-01 8.76426351160E-01 8.71222919058E-01 8.60857106397E-01 8.45118912791E-01 8.23878513783E-01 7.97103565667E-01 7.64877141566E-01 7.27415725811E-01 6.85086543828E-01 6.38423256029E-01 5.88138846984E-01 5.35134241810E-01 4.80500945990E-01 4.25515696240E-01 3.71624882437E-01 3.20416262386E-01 2.73575371070E-01 2.32824022046E-01 1.99838469022E-01 1.76145280250E-01 1.62993768777E-01 1.61205175579E-01 1.71000688495E-01 1.91813130887E-01 2.22090736010E-01 2.59106174293E-01 2.98789840304E-01 3.35613562865E-01 3.62559067398E-01 3.71214556979E-01 3.52051747437E-01 2.94943477839E-01 1.89986250393E-01 2.86893731499E-02 -1.94422725026E-01 -4.79783954588E-01 -8.20392674883E-01 -1.19922499982E+00 -1.58682198890E+00 -1.93971949634E+00 -2.20085088068E+00 -2.30374261917E+00 -2.18334255831E+00 -1.79775087314E+00 -1.16765257160E+00 -4.39253969749E-01 -1.93841280020E-02 1.90975122628E-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 9 Number of nonzero Dij 1 1 3.39019877821E-01 1 2 3.00010175553E+00 2 2 -3.30640537938E+00 3 3 -2.89402016394E-01 3 4 2.06817199947E+00 4 4 -1.20546227300E+00 5 5 4.93692769310E+00 5 6 -6.88142748865E+00 6 6 9.50156534542E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.10000000000E+00 2 1.10000000000E+00 3 1.10000000000E+00 4 1.10000000000E+00 5 1.10000000000E+00 1 1 0 i j (l(j)) -5.70402331464E-01 Q_int 0.00000000000E+00 -2.48104914099E-11 -1.00945617950E-10 -2.31037722522E-10 -4.17824656292E-10 -6.64153668627E-10 -9.72985435457E-10 -1.34739823093E-09 -1.79059224733E-09 -2.30589406854E-09 -2.89676130226E-09 -3.56678737673E-09 -4.31970650755E-09 -5.15939884063E-09 -6.08989577738E-09 -7.11538548858E-09 -8.24021862336E-09 -9.46891422037E-09 -1.08061658279E-08 -1.22568478405E-08 -1.38260220594E-08 -1.55189444849E-08 -1.73410723484E-08 -1.92980713928E-08 -2.13958234096E-08 -2.36404340421E-08 -2.60382408633E-08 -2.85958217388E-08 -3.13200034841E-08 -3.42178708270E-08 -3.72967756854E-08 -4.05643467711E-08 -4.40284995324E-08 -4.76974464453E-08 -5.15797076674E-08 -5.56841220653E-08 -6.00198586299E-08 -6.45964282927E-08 -6.94236961563E-08 -7.45118941552E-08 -7.98716341595E-08 -8.55139215391E-08 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