Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 1 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.30000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.30000000000 -1.52084930600 3P 3 1 5.00 0.00000000000 1.30000000000 -0.63173689000 0 Version Number Cl Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 7.00000000000 Z valence -33.15821320120 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 909 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 5.00 0.00000000000E+00 9.01493505081E-07 1.81813780785E-06 2.75018753762E-06 3.69790160308E-06 4.66154326424E-06 5.64138020553E-06 6.63768461018E-06 7.65073323582E-06 8.68080749136E-06 9.72819351516E-06 1.07931822545E-05 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Number of nonzero Dij 1 1 1.76501138803E-01 1 2 -5.35383583406E+00 2 2 -4.14628900865E+00 3 3 -1.22953325292E+00 3 4 -3.81775929834E+00 4 4 -1.41377345693E+00 5 5 2.13761078695E+01 5 6 -2.18027703422E+01 6 6 2.21818337705E+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)) -6.10241565155E-01 Q_int 0.00000000000E+00 -9.82052141853E-12 -3.99450472170E-11 -9.13974254490E-11 -1.65241848515E-10 -2.62584315444E-10 -3.84574145323E-10 -5.32405543662E-10 -7.07319223479E-10 -9.10604083017E-10 -1.14359894203E-09 -1.40769433867E-09 -1.70433438896E-09 -2.03501871125E-09 -2.40130441751E-09 -2.80480817415E-09 -3.24720833448E-09 -3.73024714540E-09 -4.25573303079E-09 -4.82554295432E-09 -5.44162486435E-09 -6.10600022374E-09 -6.82076662746E-09 -7.58810051110E-09 -8.41025995329E-09 -9.28958757529E-09 -1.02285135411E-08 -1.12295586617E-08 -1.22953376061E-08 -1.34285622249E-08 -1.46320449875E-08 -1.59087025387E-08 -1.72615593790E-08 -1.86937516711E-08 -2.02085311786E-08 -2.18092693404E-08 -2.34994614865E-08 -2.52827311982E-08 -2.71628348202E-08 -2.91436661273E-08 -3.12292611526E-08 -3.34238031823E-08 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