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 -1.76467301508 2P 2 1 4.00 10.00000000000 1.20000000000 -0.67131350313 0 Version Number O Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ B88 P86 BP Exchange-Correlation functional 6.00000000000 Z valence -31.64934619121 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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6.07448617033E-03 6.56917434278E-03 7.09971369978E-03 7.66852835285E-03 8.27819563936E-03 8.93145497293E-03 9.63121681366E-03 1.03805725983E-02 1.11828043137E-02 1.20413952430E-02 1.29600406595E-02 1.39426591043E-02 1.49934040806E-02 1.61166761572E-02 1.73171354254E-02 1.85997143867E-02 1.99696311932E-02 2.14324032415E-02 2.29938609699E-02 2.46601621040E-02 2.64378059415E-02 2.83336478616E-02 3.03549139551E-02 3.25092156135E-02 3.48045640328E-02 3.72493845702E-02 3.98525306915E-02 4.26232976275E-02 4.55714352113E-02 4.87071600363E-02 5.20411666151E-02 5.55846372431E-02 5.93492504264E-02 6.33471874499E-02 6.75911369524E-02 7.20942969093E-02 7.68703738693E-02 8.19335788092E-02 8.72986192336E-02 9.29806869809E-02 9.89954410804E-02 1.05358985114E-01 1.12087838301E-01 1.19198899649E-01 1.26709404250E-01 1.34636870779E-01 1.42999039659E-01 1.51813800054E-01 1.61099105535E-01 1.70872876450E-01 1.81152888351E-01 1.91956644638E-01 2.03301232577E-01 2.15203160705E-01 2.27678176580E-01 2.40741063020E-01 2.54405411383E-01 2.68683370284E-01 2.83585368011E-01 2.99119807321E-01 3.15292730729E-01 3.32107455176E-01 3.49564174505E-01 3.67659528781E-01 3.86386139289E-01 4.05732108892E-01 4.25680487250E-01 4.46208701069E-01 4.67287950352E-01 4.88882571788E-01 5.10949371679E-01 5.33436931289E-01 5.56284889067E-01 5.79423204982E-01 6.02771413859E-01 6.26237876398E-01 6.49719038013E-01 6.73098708049E-01 6.96247374183E-01 7.19021569218E-01 7.41263310561E-01 7.62799635424E-01 7.83442258518E-01 8.02987381984E-01 8.21215691472E-01 8.37892575749E-01 8.52768611394E-01 8.65580357377E-01 8.76051508801E-01 8.83894461513E-01 8.88812342643E-01 8.90501563753E-01 8.88654954497E-01 8.82965533765E-01 8.73130973067E-01 8.58858802352E-01 8.39872400041E-01 8.15917798617E-01 7.86771320708E-01 7.52248040257E-01 7.12211036378E-01 6.66581373705E-01 6.15348701574E-01 5.58582313457E-01 4.96442448460E-01 4.29191545120E-01 3.57205077486E-01 2.80981509244E-01 2.01150800508E-01 1.18480788030E-01 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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 6 Number of nonzero Dij 1 1 2.41577448198E+00 1 2 1.39744288196E-01 2 2 -3.29507710819E-01 3 3 5.72630224630E+01 3 4 -4.19667776409E+01 4 4 3.06120038063E+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)) -2.85361564415E-01 Q_int 0.00000000000E+00 -3.48205857779E-10 -1.41673354593E-09 -3.24252699884E-09 -5.86401091781E-09 -9.32114536457E-09 -1.36554822975E-08 -1.89102241190E-08 -2.51302843034E-08 -3.23623501799E-08 -4.06549479437E-08 -5.00585099758E-08 -6.06254445496E-08 -7.24102080097E-08 -8.54693795086E-08 -9.98617383906E-08 -1.15648344315E-07 -1.32892620216E-07 -1.51660438194E-07 -1.72020208449E-07 -1.94042971352E-07 -2.17802492770E-07 -2.43375362761E-07 -2.70841097744E-07 -3.00282246283E-07 -3.31784498599E-07 -3.65436799937E-07 -4.01331467935E-07 -4.39564314123E-07 -4.80234769707E-07 -5.23446015772E-07 -5.69305118070E-07 -6.17923166553E-07 -6.69415419806E-07 -7.23901454565E-07 -7.81505320476E-07 -8.42355700309E-07 -9.06586075778E-07 -9.74334899199E-07 -1.04574577116E-06 -1.12096762443E-06 -1.20015491433E-06 -1.28346781574E-06 -1.37107242706E-06 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