Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 10.00000000000 1.20000000000 -1.76096352837 2P 2 1 4.00 10.00000000000 1.20000000000 -0.67015510910 0 Version Number O Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 6.00000000000 Z valence -31.63507739775 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 737 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 4.00 0.00000000000E+00 5.29635113499E-06 1.06832360010E-05 1.61622021457E-05 2.17348235702E-05 2.74027011807E-05 3.31674632488E-05 3.90307658791E-05 4.49942934849E-05 5.10597592724E-05 5.72289057325E-05 6.35035051415E-05 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5.92196791350E-03 6.41172443609E-03 6.93718512692E-03 7.50077058305E-03 8.10505457036E-03 8.75277293517E-03 9.44683257026E-03 1.01903212917E-02 1.09865175181E-02 1.18389009465E-02 1.27511632660E-02 1.37272194844E-02 1.47712196016E-02 1.58875606978E-02 1.70808994558E-02 1.83561650318E-02 1.97185722975E-02 2.11736354534E-02 2.27271818827E-02 2.43853663191E-02 2.61546852564E-02 2.80419913735E-02 3.00545082718E-02 3.21998450142E-02 3.44860106731E-02 3.69214287290E-02 3.95149510157E-02 4.22758713887E-02 4.52139386230E-02 4.83393685652E-02 5.16628553285E-02 5.51955812056E-02 5.89492250572E-02 6.29359690226E-02 6.71685029890E-02 7.16600267353E-02 7.64242491101E-02 8.14753839427E-02 8.68281422152E-02 9.24977198448E-02 9.84997806166E-02 1.04850433550E-01 1.11566204057E-01 1.18663998080E-01 1.26161058460E-01 1.34074912452E-01 1.42423309923E-01 1.51224150380E-01 1.60495398652E-01 1.70254987336E-01 1.80520705154E-01 1.91310069735E-01 2.02640183550E-01 2.14527571413E-01 2.26987998161E-01 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3.30256010126E-02 -5.24301834099E-02 -1.37577685707E-01 -2.21106532565E-01 -3.01600563910E-01 -3.77564984648E-01 -4.47463378384E-01 -5.09765803215E-01 -5.63009010905E-01 -6.05869512938E-01 -6.37249719131E-01 -6.56376649015E-01 -6.62911710501E-01 -6.57068695167E-01 -6.39735399557E-01 -6.12592089571E-01 -5.78217343312E-01 -5.40168620506E-01 -5.03021247134E-01 -4.72345479826E-01 -4.54597148826E-01 -4.56893472054E-01 -4.86642631337E-01 -5.50994636355E-01 -6.56083396697E-01 -8.06038058943E-01 -1.00175881021E+00 -1.23948319156E+00 -1.50921844655E+00 -1.79634130540E+00 -2.07508720840E+00 -2.30971114339E+00 -2.45596999968E+00 -2.46473461245E+00 -2.28988234350E+00 -1.90287209932E+00 -1.31778601439E+00 -6.29281813719E-01 -9.51475323000E-02 7.50213420100E-03 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 2.40873412558E+00 1 2 1.43382540878E-01 2 2 -3.32721673859E-01 3 3 5.73943962564E+01 3 4 -4.20311566278E+01 4 4 3.06354740402E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 1 1 0 i j (l(j)) -2.85835276802E-01 Q_int 0.00000000000E+00 -3.48227973520E-10 -1.41682352750E-09 -3.24273294278E-09 -5.86438336114E-09 -9.32173738230E-09 -1.36563496038E-08 -1.89114251718E-08 -2.51318804135E-08 -3.23644056231E-08 -4.06575300782E-08 -5.00616893627E-08 -6.06292950785E-08 -7.24148070292E-08 -8.54748079608E-08 -9.98680809507E-08 -1.15655689537E-07 -1.32901060680E-07 -1.51670070667E-07 -1.72031134041E-07 -1.94055295685E-07 -2.17816326152E-07 -2.43390820363E-07 -2.70858299790E-07 -3.00301318238E-07 -3.31805571371E-07 -3.65460010083E-07 -4.01356957874E-07 -4.39592232363E-07 -4.80265271069E-07 -5.23479261630E-07 -5.69341276599E-07 -6.17962412984E-07 -6.69457936690E-07 -7.23947432046E-07 -7.81554956581E-07 -8.42409201235E-07 -9.06643656202E-07 -9.74396782589E-07 -1.04581219011E-06 -1.12103882099E-06 -1.20023114035E-06 -1.28354933326E-06 -1.37115950866E-06 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