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 -1.37139187605 2P 2 1 3.00 10.00000000000 1.10000000000 -0.52856171804 0 Version Number N Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ B88 P86 BP Exchange-Correlation functional 5.00000000000 Z valence -19.34953042791 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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9.81622542851E-04 1.71045079776E-02 3.43371804249E-02 5.27065278116E-02 7.22357257628E-02 9.29435718170E-02 1.14843760812E-01 1.37944099638E-01 1.62245660465E-01 1.87741871777E-01 2.14417548196E-01 2.42247859943E-01 2.71197245366E-01 3.01218270198E-01 3.32250439777E-01 3.64218972057E-01 3.97033541479E-01 4.30587007025E-01 4.64754139438E-01 4.99390368070E-01 5.34330568958E-01 5.69387922703E-01 6.04352872840E-01 6.38992222339E-01 6.73048410401E-01 7.06239017249E-01 7.38256552050E-01 7.68768583798E-01 7.97418283059E-01 8.23825447750E-01 8.47588093277E-01 8.68284692660E-01 8.85477157433E-01 8.98714653868E-01 9.07538351695E-01 9.11487201662E-01 9.10104835846E-01 9.02947678382E-01 8.89594341803E-01 8.69656368270E-01 8.42790350921E-01 8.08711437784E-01 7.67208179793E-01 7.18158630873E-01 6.61547542320E-01 5.97484413401E-01 5.26222063549E-01 4.48175278079E-01 3.63938946671E-01 2.74304963766E-01 1.80276989787E-01 8.30819866233E-02 -1.58227593330E-02 -1.14748621434E-01 -2.11782327955E-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 -1.08639034991E-01 1 2 4.30908460625E+00 2 2 -5.41215837103E+00 3 3 4.29743104686E+01 3 4 -4.06501472838E+01 4 4 3.81718479995E+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)) -5.01814901605E-01 Q_int 0.00000000000E+00 -6.13079454989E-10 -2.49441590572E-09 -5.70905583651E-09 -1.03246528892E-08 -1.64115639850E-08 -2.40429488662E-08 -3.32948731797E-08 -4.42464152232E-08 -5.69797764856E-08 -7.15803961110E-08 -8.81370694264E-08 -1.06742070674E-07 -1.27491280092E-07 -1.50484315507E-07 -1.75824668577E-07 -2.03619845863E-07 -2.33981514897E-07 -2.67025655411E-07 -3.02872715910E-07 -3.41647775792E-07 -3.83480713177E-07 -4.28506378676E-07 -4.76864775288E-07 -5.28701244643E-07 -5.84166659815E-07 -6.43417624931E-07 -7.06616681819E-07 -7.73932523927E-07 -8.45540217783E-07 -9.21621432243E-07 -1.00236467581E-06 -1.08796554231E-06 -1.17862696518E-06 -1.27455948073E-06 -1.37598150060E-06 -1.48311959390E-06 -1.59620877909E-06 -1.71549282627E-06 -1.84122456996E-06 -1.97366623295E-06 -2.11308976141E-06 -2.25977717182E-06 -2.41402091005E-06 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