Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5S 5 0 2.00 0.00000000000 2.10000000000 -1.12897651400 5P 5 1 4.00 0.00000000000 2.10000000000 -0.44959820900 0 Version Number Te Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 6.00000000000 Z valence -26.26119913180 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 891 Number of points in mesh 2 5 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5S 0 2.00 5P 1 4.00 0.00000000000E+00 1.10039444928E-09 2.22864551667E-09 3.38545839581E-09 4.57155613242E-09 5.78768007617E-09 7.03459034414E-09 8.31306629582E-09 9.62390702031E-09 1.09679318357E-08 1.23459808013E-08 1.37589152426E-08 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1.47430429939E-05 1.58911101301E-05 1.71285771938E-05 1.84624047993E-05 1.99000959885E-05 2.14497373253E-05 2.31200451186E-05 2.49204142501E-05 2.68609704271E-05 2.89526282610E-05 3.12071511504E-05 3.36372184719E-05 3.62564964099E-05 3.90797142984E-05 4.21227484941E-05 4.54027101685E-05 4.89380423360E-05 5.27486231830E-05 5.68558770679E-05 6.12828962266E-05 6.60545685581E-05 7.11977186539E-05 7.67412578816E-05 8.27163459916E-05 8.91565674418E-05 9.60981177548E-05 1.03580008079E-04 1.11644283230E-04 1.20336256905E-04 1.29704767073E-04 1.39802447802E-04 1.50686025385E-04 1.62416635602E-04 1.75060165350E-04 1.88687623222E-04 2.03375534461E-04 2.19206370962E-04 2.36269011616E-04 2.54659238784E-04 2.74480275119E-04 2.95843358186E-04 3.18868363129E-04 3.43684471338E-04 3.70430890505E-04 3.99257632970E-04 4.30326349412E-04 4.63811231402E-04 4.99899981016E-04 5.38794854139E-04 5.80713788495E-04 6.25891611826E-04 6.74581348502E-04 7.27055624146E-04 7.83608176237E-04 8.44555485722E-04 9.10238526578E-04 9.81024654778E-04 1.05730963960E-03 1.13951984825E-03 1.22811460191E-03 1.32358870443E-03 1.42647516957E-03 1.53734815235E-03 1.65682610142E-03 1.78557515615E-03 1.92431279150E-03 2.07381174682E-03 2.23490424584E-03 2.40848653362E-03 2.59552376016E-03 2.79705521991E-03 3.01419999257E-03 3.24816299912E-03 3.50024150756E-03 3.77183212797E-03 4.06443831402E-03 4.37967842747E-03 4.71929439060E-03 5.08516096961E-03 5.47929574421E-03 5.90386978811E-03 6.36121913325E-03 6.85385705471E-03 7.38448723086E-03 7.95601785274E-03 8.57157671532E-03 9.23452738599E-03 9.94848649346E-03 1.07173422141E-02 1.15452740412E-02 1.24367738825E-02 1.33966686003E-02 1.44301440464E-02 1.55427706840E-02 1.67405308900E-02 1.80298479949E-02 1.94176171795E-02 2.09112382823E-02 2.25186506100E-02 2.42483698429E-02 2.61095270702E-02 2.81119100668E-02 3.02660068299E-02 3.25830514347E-02 3.50750722442E-02 3.77549424497E-02 4.06364329640E-02 4.37342675854E-02 4.70641803638E-02 5.06429750427E-02 5.44885863691E-02 5.86201430604E-02 6.30580320736E-02 6.78239637768E-02 7.29410375179E-02 7.84338069107E-02 8.43283440977E-02 9.06523019992E-02 9.74349733977E-02 1.04707345517E-01 1.12502148353E-01 1.20853894943E-01 1.29798911147E-01 1.39375352278E-01 1.49623203499E-01 1.60584260123E-01 1.72302083755E-01 1.84821929149E-01 1.98190636137E-01 2.12456480182E-01 2.27668973834E-01 2.43878610830E-01 2.61136542949E-01 2.79494178759E-01 2.99002692085E-01 3.19712426244E-01 3.41672179086E-01 3.64928351853E-01 3.89523943515E-01 4.15497370855E-01 4.42881092687E-01 4.71700016055E-01 5.01969660794E-01 5.33694058845E-01 5.66863365201E-01 6.01451158236E-01 6.37411410665E-01 6.74675116141E-01 7.13146563638E-01 7.52699261414E-01 7.93171525021E-01 8.34361762120E-01 8.76023509048E-01 9.17860303799E-01 9.59520517025E-01 1.00059230766E+00 1.04059892617E+00 1.07899465396E+00 1.11516174624E+00 1.14840883566E+00 1.17797135496E+00 1.20301464863E+00 1.22264055983E+00 1.23589839575E+00 1.24180128230E+00 1.23934900249E+00 1.22755845596E+00 1.20550285131E+00 1.17236061760E+00 1.12747475503E+00 1.07042288673E+00 1.00109757145E+00 9.19795427709E-01 8.27312251361E-01 7.25039538471E-01 6.15055642936E-01 5.00202254633E-01 3.84134112619E-01 2.71327145919E-01 1.67028019729E-01 7.71270616616E-02 7.93775214900E-03 -3.41292941686E-02 -4.30000235678E-02 -1.34635901037E-02 5.82484380366E-02 1.76422876424E-01 2.73780039193E-01 3.38344839042E-01 3.63447978514E-01 3.44748026405E-01 2.82669084746E-01 1.86179092716E-01 7.80014079642E-02 6.86470226109E-03 -5.56688597463E-04 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 7 Number of nonzero Dij 1 1 -2.59966774669E+00 1 2 -1.92975868241E-01 2 2 -7.34924768208E+00 3 3 -4.46030271208E+00 3 4 -1.66279392577E+00 4 4 -7.59864236915E+00 5 5 -6.36630465631E+00 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.80000000000E+00 2 1.80000000000E+00 3 1.80000000000E+00 4 1.80000000000E+00 5 1.80000000000E+00 1 1 0 i j (l(j)) -6.54794844667E-01 Q_int 0.00000000000E+00 -3.82842679229E-18 -1.57038289795E-17 -3.62375249195E-17 -6.60772070874E-17 -1.05908934381E-16 -1.56459229799E-16 -2.18497288970E-16 -2.92837305317E-16 -3.80340917893E-16 -4.81919788301E-16 -5.98538313378E-16 -7.31216480711E-16 -8.81032874397E-16 -1.04912783886E-15 -1.23670680888E-15 -1.44504381459E-15 -1.67548517028E-15 -1.92945335681E-15 -2.20845110749E-15 -2.51406570801E-15 -2.84797352154E-15 -3.21194475064E-15 -3.60784844830E-15 -4.03765779083E-15 -4.50345562647E-15 -5.00744031357E-15 -5.55193186381E-15 -6.13937840573E-15 -6.77236298555E-15 -7.45361072249E-15 -8.18599633697E-15 -8.97255207099E-15 -9.81647602089E-15 -1.07211409039E-14 -1.16901032806E-14 -1.27271132577E-14 -1.38361246942E-14 -1.50213059389E-14 -1.62870511257E-14 -1.76379920551E-14 -1.90790106931E-14 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