Generated using Vanderbilt code, version 7 3 5 Author: G. Mattioli Generation date: 18 9 2008 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 0.80000000000 1.10000000000 -2.68819645303 2P 2 1 3.00 0.80000000000 1.10000000000 -1.84267795968 0 Version Number N Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 6.00000000000 Z valence -29.62042924861 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 729 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 3.00 0.00000000000E+00 6.05297272571E-06 1.22094125726E-05 1.84710881666E-05 2.48397983660E-05 3.13173727780E-05 3.79056722844E-05 4.46065895761E-05 5.14220496971E-05 5.83540105970E-05 6.54044636943E-05 7.25754344475E-05 7.98689829378E-05 8.72872044606E-05 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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 6 Number of nonzero Dij 1 1 1.05795535056E+00 1 2 -2.78067158549E+00 2 2 -3.69487193800E+00 3 3 7.81376016344E+01 3 4 7.20430570997E+01 4 4 6.61737019695E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 1 1 0 i j (l(j)) -4.25239329422E-01 Q_int 0.00000000000E+00 -5.68931224336E-10 -2.31479147390E-09 -5.29794319541E-09 -9.58116825005E-09 -1.52297571133E-08 -2.23116012493E-08 -3.08972887701E-08 -4.10602034961E-08 -5.28766275356E-08 -6.64258475066E-08 -8.17902645291E-08 -9.90555081188E-08 -1.18310554119E-07 -1.39647846813E-07 -1.63163425358E-07 -1.88957054703E-07 -2.17132361127E-07 -2.47796972589E-07 -2.81062664021E-07 -3.17045507773E-07 -3.55866029358E-07 -3.97649368710E-07 -4.42525447120E-07 -4.90629140072E-07 -5.42100456175E-07 -5.97084722389E-07 -6.55732775800E-07 -7.18201162129E-07 -7.84652341248E-07 -8.55254899918E-07 -9.30183772023E-07 -1.00962046654E-06 -1.09375330354E-06 -1.18277765846E-06 -1.27689621499E-06 -1.37631922682E-06 -1.48126478858E-06 -1.59195911632E-06 -1.70863683777E-06 -1.83154129286E-06 -1.96092484474E-06 -2.09704920168E-06 -2.24018575031E-06 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