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 1.25000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 0.00000000000 1.25000000000 -0.68771572100 2P 2 1 1.00 0.00000000000 1.25000000000 -0.26145237500 0 Version Number B Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 3.00000000000 Z valence -5.83601108241 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 1 Max angular momentum component 781 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 1.00 0.00000000000E+00 3.06507791728E-06 6.18166854669E-06 9.35063762790E-06 1.25728654505E-05 1.58492470984E-05 1.91806926988E-05 2.25681276746E-05 2.60124930018E-05 2.95147454706E-05 3.30758579515E-05 3.66968196654E-05 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-4.71809331602E-01 -3.93543571680E-01 -3.10985601092E-01 -2.24275942169E-01 -1.33605863566E-01 -3.92228434859E-02 5.85637481328E-02 1.59376830892E-01 2.62765721549E-01 3.68200261619E-01 4.75065116824E-01 5.82654366457E-01 6.90166626428E-01 7.96700901193E-01 9.01253505277E-01 1.00271637276E+00 1.09987722645E+00 1.19142209455E+00 1.27594082796E+00 1.35193633326E+00 1.41783843167E+00 1.47202335949E+00 1.51284016478E+00 1.53864543804E+00 1.54784807375E+00 1.53896607323E+00 1.51069769049E+00 1.46200966310E+00 1.39224565931E+00 1.30125863081E+00 1.18957129861E+00 1.05856970738E+00 9.10735493501E-01 7.49923426077E-01 5.81691690337E-01 4.13693610268E-01 2.56140095611E-01 1.22349163496E-01 2.93462752125E-02 2.31994928146E-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 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 6 Number of nonzero Dij 1 1 7.96726476018E-01 1 2 -4.66927123024E+00 2 2 -4.78612627080E+00 3 3 4.13926904310E+00 3 4 5.60190541709E+00 4 4 7.05623589199E+00 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)) -4.32780879454E-01 Q_int 0.00000000000E+00 -1.22895256075E-10 -4.99877409436E-10 -1.14375902484E-09 -2.06785754116E-09 -3.28601357053E-09 -4.81260983763E-09 -6.66259078122E-09 -8.85148284068E-09 -1.13954154511E-08 -1.43111427713E-08 -1.76160661701E-08 -2.13282574968E-08 -2.54664831623E-08 -3.00502290602E-08 -3.50997263550E-08 -4.06359781681E-08 -4.66807871924E-08 -5.32567842674E-08 -6.03874579469E-08 -6.80971850951E-08 -7.64112625446E-08 -8.53559398538E-08 -9.49584532006E-08 -1.05247060453E-07 -1.16251077454E-07 -1.28000915566E-07 -1.40528120515E-07 -1.53865412580E-07 -1.68046728176E-07 -1.83107262871E-07 -1.99083515899E-07 -2.16013336205E-07 -2.33935970088E-07 -2.52892110484E-07 -2.72923947961E-07 -2.94075223465E-07 -3.16391282894E-07 -3.39919133557E-07 -3.64707502573E-07 -3.90806897292E-07 -4.18269667799E-07 -4.47150071571E-07 -4.77504340358E-07 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