Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 9.00000000000E-01 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 1.00 0.00000000000 0.90000000000 -0.46731646900 0 Version Number H Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 1.00000000000 Z valence -0.89164628343 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 0 Max angular momentum component 615 Number of points in mesh 1 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 1.00 0.00000000000E+00 4.23708090800E-05 8.54658880079E-05 1.29297617166E-04 1.73878588562E-04 2.19221609446E-04 2.65339705991E-04 3.12246127033E-04 3.59954347880E-04 4.08478074179E-04 4.57831245860E-04 5.08028041132E-04 5.59082880565E-04 6.11010431224E-04 6.63825610891E-04 7.17543592346E-04 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3.77563592653E-02 7.55451018291E-02 1.14499312824E-01 1.54566754309E-01 1.95685110175E-01 2.37781229024E-01 2.80770348621E-01 3.24555313003E-01 3.69025782986E-01 4.14057456393E-01 4.59511294916E-01 5.05232780631E-01 5.51051206337E-01 5.96779016635E-01 6.42211215679E-01 6.87124859491E-01 7.31278653320E-01 7.74412677681E-01 8.16248265886E-01 8.56488065078E-01 8.94816308537E-01 9.30899333350E-01 9.64386381540E-01 9.94910721380E-01 1.02209113402E+00 1.04553380407E+00 1.06483466913E+00 1.07958226549E+00 1.08936113006E+00 1.09375579733E+00 1.09235544925E+00 1.08475925555E+00 1.07058245474E+00 1.04946320869E+00 1.02107025871E+00 9.85111409168E-01 9.41342834504E-01 8.89579205834E-01 8.29704599034E-01 7.61684126805E-01 6.85576203548E-01 6.01545314870E-01 5.09875118735E-01 4.10981656476E-01 3.05426391120E-01 1.93928724467E-01 7.73775729993E-02 -4.31585038049E-02 -1.66423214942E-01 -2.90967177273E-01 -4.15146072356E-01 -5.37123210619E-01 -6.54877491476E-01 -7.66217847023E-01 -8.68805328593E-01 -9.60184064258E-01 -1.03782233533E+00 -1.09916500557E+00 -1.14169845643E+00 -1.16302902050E+00 -1.16097564148E+00 -1.13367708868E+00 -1.07971349660E+00 -9.98241236185E-01 -8.89139128494E-01 -7.53162732629E-01 -5.92101845294E-01 -4.08934394261E-01 -2.07967571056E-01 5.04568573804E-03 2.22829863692E-01 4.36568149412E-01 6.35963883995E-01 8.09407901815E-01 9.44280700115E-01 1.02742071478E+00 1.04579058258E+00 9.87370974103E-01 8.42304727555E-01 6.04300255697E-01 2.72279328271E-01 -1.47784095316E-01 -6.40946271224E-01 -1.18149721594E+00 -1.73161239423E+00 -2.24096059843E+00 -2.64803024489E+00 -2.88428890672E+00 -2.88277525576E+00 -2.59338280087E+00 -2.00798331971E+00 -1.19977505332E+00 -3.82480937509E-01 -6.36751910926E-04 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 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 3 Number of nonzero Dij 1 1 5.03460699623E+00 1 2 8.03832808808E+00 2 2 1.12412158457E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 7.00000000000E-01 1 1 0 i j (l(j)) 5.67564089708E-01 Q_int 0.00000000000E+00 4.11552861265E-08 1.67447134022E-07 3.83242022071E-07 6.93081432892E-07 1.10168830409E-06 1.61397370840E-06 2.23504377136E-06 2.97020683461E-06 3.82498087363E-06 4.80510117864E-06 5.91652830792E-06 7.16545632305E-06 8.55832131587E-06 1.01018102374E-05 1.18028700393E-05 1.36687171384E-05 1.57068472161E-05 1.79250453642E-05 2.03313965885E-05 2.29342966839E-05 2.57424634927E-05 2.87649485599E-05 3.20111492002E-05 3.54908209894E-05 3.92140906955E-05 4.31914696661E-05 4.74338676863E-05 5.19526073232E-05 5.67594387765E-05 6.18665552492E-05 6.72866088596E-05 7.30327271110E-05 7.91185299400E-05 8.55581473628E-05 9.23662377401E-05 9.95580066826E-05 1.07149226619E-04 1.15156257048E-04 1.23596065501E-04 1.32486249241E-04 1.41845057710E-04 1.51691415776E-04 1.62044947784E-04 1.72926002444E-04 1.84355678599E-04 1.96355851882E-04 2.08949202312E-04 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