Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 15 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.50000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 2.00 0.00000000000 1.35000000000 -7.74945270400 2S 2 0 2.00 0.00000000000 1.35000000000 -0.40735825300 2P 2 1 0.00 0.00000000000 1.60000000000 -0.14474459600 0 Version Number Be Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 4.00000000000 Z valence -27.80698942780 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 769 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 2.00 2S 0 2.00 2P 1 0.00 0.00000000000E+00 3.83134739660E-06 7.72708568336E-06 1.16882970349E-05 1.57160818131E-05 1.98115588730E-05 2.39758658735E-05 2.82101595933E-05 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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)) -1.30527751810E-01 Q_int 0.00000000000E+00 -1.20537862406E-11 -4.90288692556E-11 -1.12181928345E-10 -2.02819161817E-10 -3.22298081801E-10 -4.72029371863E-10 -6.53478809567E-10 -8.68169256220E-10 -1.11768271613E-09 -1.40366246774E-09 -1.72781526911E-09 -2.09191364039E-09 -2.49779822574E-09 -2.94738023761E-09 -3.44264398618E-09 -3.98564949676E-09 -4.57853521831E-09 -5.22352082613E-09 -5.92291012205E-09 -6.67909403523E-09 -7.49455372740E-09 -8.37186380572E-09 -9.31369564723E-09 -1.03228208386E-08 -1.14021147353E-08 -1.25545601438E-08 -1.37832511314E-08 -1.50913969689E-08 -1.64823262083E-08 -1.79594909026E-08 -1.95264709716E-08 -2.11869787183E-08 -2.29448635017E-08 -2.48041165710E-08 -2.67688760670E-08 -2.88434321958E-08 -3.10322325821E-08 -3.33398878060E-08 -3.57711771319E-08 -3.83310544345E-08 -4.10246543296E-08 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