Generated using Vanderbilt code, version 7 3 5 Author: unknown Generation date: 9 6 2004 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.60000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 10.00000000000 1.60000000000 -2.19750910942 2P 2 1 5.00 10.00000000000 1.80000000000 -0.81669836205 0 Version Number F Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 7.00000000000 Z valence -48.46694429438 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 799 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 5.00 0.00000000000E+00 4.70786767555E-06 9.49620977865E-06 1.43664019073E-05 1.93198431735E-05 2.43579566051E-05 2.94821895545E-05 3.46940141148E-05 3.99949275422E-05 4.53864526866E-05 5.08701384289E-05 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If not zero, Qij's inside rinner are computed using qfcoef's 1 1.20000000000E+00 2 1.20000000000E+00 3 1.20000000000E+00 1 1 0 i j (l(j)) -2.49295397034E-03 Q_int 0.00000000000E+00 -9.19412157139E-12 -3.74078154258E-11 -8.56165592138E-11 -1.54834929174E-10 -2.46118041636E-10 -3.60563045828E-10 -4.99310669768E-10 -6.63546821121E-10 -8.54504244924E-10 -1.07346424018E-09 -1.32175843737E-09 -1.60077063903E-09 -1.91193872558E-09 -2.25675662872E-09 -2.63677637464E-09 -3.05361019971E-09 -3.50893274090E-09 -4.00448330378E-09 -4.54206821066E-09 -5.12356323173E-09 -5.75091610207E-09 -6.42614912756E-09 -7.15136188278E-09 -7.92873400401E-09 -8.76052808087E-09 -9.64909264977E-09 -1.05968652930E-08 -1.16063758467E-08 -1.26802497223E-08 -1.38212113443E-08 -1.50320877095E-08 -1.63158120710E-08 -1.76754277521E-08 -1.91140920942E-08 -2.06350805433E-08 -2.22417908800E-08 -2.39377475983E-08 -2.57266064378E-08 -2.76121590755E-08 -2.95983379814E-08 -3.16892214451E-08 -3.38890387783E-08 -3.62021757000E-08 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