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 -1.36726011890 2P 2 1 3.00 10.00000000000 1.10000000000 -0.52652293985 0 Version Number N Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 5.00000000000 Z valence -19.33302608112 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 729 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 3.00 0.00000000000E+00 6.05297272571E-06 1.22094125726E-05 1.84710881666E-05 2.48397983660E-05 3.13173727780E-05 3.79056722844E-05 4.46065895761E-05 5.14220496971E-05 5.83540105970E-05 6.54044636943E-05 7.25754344475E-05 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-2.06243692202E-04 1.58965221839E-02 3.31093669229E-02 5.14592172886E-02 7.09692879373E-02 9.16584157750E-02 1.13540334917E-01 1.36622891225E-01 1.60907195322E-01 1.86386713348E-01 2.13046296312E-01 2.40861149519E-01 2.69795744503E-01 2.99802678131E-01 3.30821484293E-01 3.62777406762E-01 3.95580142605E-01 4.29122569816E-01 4.63279474538E-01 4.97906297212E-01 5.32837920720E-01 5.67887528010E-01 6.02845560197E-01 6.37478813237E-01 6.71529714579E-01 7.04715828300E-01 7.36729643091E-01 7.67238703913E-01 7.95886153966E-01 8.22291761630E-01 8.46053511384E-01 8.66749845269E-01 8.83942645193E-01 8.97181051031E-01 9.06006211173E-01 9.09957062472E-01 9.08577233056E-01 9.01423155897E-01 8.88073468098E-01 8.68139755542E-01 8.41278677427E-01 8.07205473953E-01 7.65708817661E-01 7.16666917079E-01 6.60064714348E-01 5.96011938671E-01 5.24761680860E-01 4.46729040604E-01 3.62509265634E-01 2.72894651250E-01 1.78889299392E-01 8.17206498041E-02 -1.71535033032E-02 -1.16044004906E-01 -2.13037046286E-01 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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 -1.13982383227E-01 1 2 4.29275553214E+00 2 2 -5.36297872103E+00 3 3 4.30865872743E+01 3 4 -4.07306965685E+01 4 4 3.82215709917E+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)) -5.02124386858E-01 Q_int 0.00000000000E+00 -6.12960022226E-10 -2.49392997362E-09 -5.70794366694E-09 -1.03226415646E-08 -1.64083668815E-08 -2.40382651082E-08 -3.32883870731E-08 -4.42377956690E-08 -5.69686763712E-08 -7.15664516796E-08 -8.81198996232E-08 -1.06721276468E-07 -1.27466443775E-07 -1.50454999964E-07 -1.75790416531E-07 -2.03580179096E-07 -2.33935933435E-07 -2.66973636687E-07 -3.02813713894E-07 -3.41581220086E-07 -3.83406008083E-07 -4.28422902225E-07 -4.76771878237E-07 -5.28598249436E-07 -5.84052859505E-07 -6.43292282063E-07 -7.06479027274E-07 -7.73781755723E-07 -8.45375499833E-07 -9.21441893069E-07 -1.00216940722E-06 -1.08775359799E-06 -1.17839735930E-06 -1.27431118643E-06 -1.37571344850E-06 -1.48283067045E-06 -1.59589782498E-06 -1.71515863468E-06 -1.84086588485E-06 -1.97328174716E-06 -2.11267811482E-06 -2.25933694938E-06 -2.41355063972E-06 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