Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5D 5 2 10.00 0.00000000000 2.30000000000 -2.58646448600 6S 6 0 2.00 0.00000000000 2.50000000000 -1.63124606400 6P 6 1 2.00 0.00000000000 2.50000000000 -0.84397902100 0 Version Number Bi Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 15.00000000000 Z valence -184.08673571000 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 899 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5D 2 10.00 6S 0 2.00 6P 1 2.00 0.00000000000E+00 6.89403751357E-10 1.39625984177E-09 2.12101007930E-09 2.86410745645E-09 3.62601643326E-09 4.40721322765E-09 5.20818611305E-09 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5.99972459021E-01 4.00830259077E-01 2.13837515063E-01 6.68062049310E-02 1.37289316544E-03 -1.37753612811E-05 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 2.49208857057E+00 1 2 2.00574928794E+00 2 2 3.42773120256E+00 3 3 6.33668366642E+00 3 4 4.18369319054E+00 4 4 4.52776395850E+00 5 5 6.97706184030E+01 5 6 -7.70908359817E+01 6 6 8.51030338397E+01 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.00000000000E+00 2 1.00000000000E+00 3 1.00000000000E+00 4 1.00000000000E+00 5 1.00000000000E+00 1 1 0 i j (l(j)) -3.13865514818E-01 Q_int 0.00000000000E+00 -3.11915275410E-19 -1.27944568537E-18 -2.95239746734E-18 -5.38354038492E-18 -8.62877004791E-18 -1.27472788173E-17 -1.78017357424E-17 -2.38584759991E-17 -3.09877003246E-17 -3.92636849675E-17 -4.87650026995E-17 -5.95747554648E-17 -7.17808192693E-17 -8.54761019477E-17 -1.00758814475E-16 -1.17732756524E-16 -1.36507617015E-16 -1.57199290422E-16 -1.79930209665E-16 -2.04829696442E-16 -2.32034329903E-16 -2.61688334623E-16 -2.93943988861E-16 -3.28962054172E-16 -3.66912227460E-16 -4.07973616644E-16 -4.52335241161E-16 -5.00196558578E-16 -5.51768018673E-16 -6.07271646408E-16 -6.66941655276E-16 -7.31025092602E-16 -7.99782518443E-16 -8.73488719825E-16 -9.52433462147E-16 -1.03692227966E-15 -1.12727730703E-15 -1.22383815419E-15 -1.32696282654E-15 -1.43702869300E-15 -1.55443350435E-15 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