Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 15 5 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 -2.58652527100 6S 6 0 2.00 0.00000000000 2.50000000000 -1.62504887300 6P 6 1 2.00 0.00000000000 2.50000000000 -0.84077300000 0 Version Number Bi Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 15.00000000000 Z valence -184.40800793800 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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6.67886067186E-02 1.36358277856E-03 -1.00916774461E-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 2.71967253724E+00 1 2 2.03852482298E+00 2 2 3.18561293634E+00 3 3 6.32017688714E+00 3 4 4.16423979742E+00 4 4 4.50529547462E+00 5 5 6.98123311777E+01 5 6 -7.70657268542E+01 6 6 8.49969533758E+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)) -3.27348945611E-01 Q_int 0.00000000000E+00 -3.13765607173E-19 -1.28703556370E-18 -2.96991156568E-18 -5.41547641548E-18 -8.67995730467E-18 -1.28228977329E-17 -1.79073385124E-17 -2.40000083299E-17 -3.11715243649E-17 -3.94966034846E-17 -4.90542845671E-17 -5.99281625306E-17 -7.22066346759E-17 -8.59831599819E-17 -1.01356532027E-16 -1.18431166240E-16 -1.37317402234E-16 -1.58131821988E-16 -1.80997584713E-16 -2.06044779264E-16 -2.33410795002E-16 -2.63240712065E-16 -2.95687712051E-16 -3.30913510178E-16 -3.69088810019E-16 -4.10393781992E-16 -4.55018566827E-16 -5.03163805304E-16 -5.55041195625E-16 -6.10874079839E-16 -6.70898060832E-16 -7.35361651452E-16 -8.04526957442E-16 -8.78670395908E-16 -9.58083451184E-16 -1.04307347000E-15 -1.13396449798E-15 -1.23109815967E-15 -1.33483458422E-15 -1.44555337916E-15 -1.56365465481E-15 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