Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 3 2 2014 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.30000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 0.00000000000 1.30000000000 -1.00192799200 2P 2 1 2.00 0.00000000000 1.30000000000 -0.39860346400 0 Version Number C Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 4.00000000000 Z valence -10.78472646780 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 1 Max angular momentum component 721 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 2.00 0.00000000000E+00 7.06180151333E-06 1.42443146680E-05 2.15496028610E-05 2.89797647603E-05 3.65369349077E-05 4.42232843318E-05 5.20410211722E-05 5.99923913133E-05 6.80796790299E-05 7.63052076433E-05 8.46713401887E-05 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0.00000000000E+00 6 Number of nonzero Dij 1 1 1.68519785832E-01 1 2 2.95487235749E+00 2 2 -4.62302651667E+00 3 3 1.14096319637E+01 3 4 -1.32362383464E+01 4 4 1.49967503902E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.10000000000E+00 2 1.10000000000E+00 3 1.10000000000E+00 1 1 0 i j (l(j)) -4.46469089082E-01 Q_int 0.00000000000E+00 -4.78124477952E-10 -1.94532909714E-09 -4.45234189269E-09 -8.05192415278E-09 -1.27989453813E-08 -1.87504609281E-08 -2.59657923808E-08 -3.45066108132E-08 -4.44370229928E-08 -5.58236606485E-08 -6.87357729066E-08 -8.32453220065E-08 -9.94270824091E-08 -1.17358743418E-07 -1.37121015437E-07 -1.58797739984E-07 -1.82476003607E-07 -2.08246255824E-07 -2.36202431229E-07 -2.66442075923E-07 -2.99066478405E-07 -3.34180805084E-07 -3.71894240576E-07 -4.12320132954E-07 -4.55576144112E-07 -5.01784405442E-07 -5.51071678983E-07 -6.03569524257E-07 -6.59414470979E-07 -7.18748197839E-07 -7.81717717584E-07 -8.48475568603E-07 -9.19180013256E-07 -9.93995243166E-07 -1.07309159173E-06 -1.15664575409E-06 -1.24484101485E-06 -1.33786748375E-06 -1.43592233962E-06 -1.53921008294E-06 -1.64794279720E-06 -1.76234041943E-06 -1.88263102025E-06 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