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 1.10000000000 -1.00193041704 2P 2 1 2.00 10.00000000000 1.10000000000 -0.39859642451 0 Version Number C Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 4.00000000000 Z valence -10.69250482553 Total energy 0.0000000 0.0000000 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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-7.32171917707E-01 -7.65161436786E-01 -7.78754068260E-01 -7.71052067469E-01 -7.40695090809E-01 -6.87049110550E-01 -6.10412056131E-01 -5.12229320839E-01 -3.95308710231E-01 -2.64019996490E-01 -1.24458951330E-01 1.54504496584E-02 1.45948840915E-01 2.55569802689E-01 3.31451326423E-01 3.59883936040E-01 3.27152098176E-01 2.20723425413E-01 3.08291033697E-02 -2.47546310471E-01 -6.12294817278E-01 -1.05154377542E+00 -1.54098086767E+00 -2.04158009199E+00 -2.49846002851E+00 -2.84204135036E+00 -2.99330001726E+00 -2.87563589569E+00 -2.43743830465E+00 -1.69193439331E+00 -7.77606255515E-01 -9.37676743579E-02 8.23705419559E-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 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 -1.19592259354E+00 1 2 6.79482026142E+00 2 2 -7.88014357193E+00 3 3 3.54501966791E+01 3 4 -2.81323998552E+01 4 4 2.20924830192E+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)) -5.99870455056E-01 Q_int 0.00000000000E+00 -8.59998344577E-10 -3.49904654574E-09 -8.00838867834E-09 -1.44829260108E-08 -2.30213518397E-08 -3.37262911227E-08 -4.67044450774E-08 -6.20667409211E-08 -7.99284869293E-08 -1.00409533002E-07 -1.23634436926E-07 -1.49732636540E-07 -1.78838627995E-07 -2.11092150343E-07 -2.46638376657E-07 -2.85628111916E-07 -3.28217997899E-07 -3.74570725324E-07 -4.24855253480E-07 -4.79247037638E-07 -5.37928264474E-07 -6.01088095822E-07 -6.68922921025E-07 -7.41636618183E-07 -8.19440824622E-07 -9.02555216898E-07 -9.91207800661E-07 -1.08563521074E-06 -1.18608302179E-06 -1.29280606985E-06 -1.40606878529E-06 -1.52614553735E-06 -1.65332099094E-06 -1.78789047581E-06 -1.93016036889E-06 -2.08044848987E-06 -2.23908451079E-06 -2.40641038000E-06 -2.58278076094E-06 -2.76856348634E-06 -2.96414002839E-06 -3.16990598536E-06 -3.38627158523E-06 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