Generated using Vanderbilt code, version 7 3 2 Author: unknown Generation date: 30 3 2001 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.80000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 10.00000000000 2.60000000000 -2.46551616600 5S 5 0 2.00 10.00000000000 2.20000000000 -0.94844667900 5P 5 1 3.00 10.00000000000 2.60000000000 -0.35846066400 0 Version Number an Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 15.00000000000 Z valence -195.40394601000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 891 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 2.00 5P 1 3.00 0.00000000000E+00 1.12197081103E-09 2.27234444837E-09 3.45183993299E-09 4.66119448795E-09 5.90116399923E-09 7.17252348814E-09 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-8.24825724279E-01 -8.12238035165E-01 -7.92195702289E-01 -7.63904401649E-01 -7.26582212398E-01 -6.79483969735E-01 -6.21931526116E-01 -5.53350653728E-01 -4.73315264355E-01 -3.81599491664E-01 -2.78237956674E-01 -1.63594176597E-01 -3.84365395282E-02 9.59795030952E-02 2.37825455141E-01 3.84613905579E-01 5.33118648426E-01 6.79309288607E-01 8.18312246332E-01 9.44414491912E-01 1.05113199256E+00 1.13137201959E+00 1.17772747427E+00 1.18295262791E+00 1.14068358973E+00 1.04648394068E+00 8.99316821252E-01 7.03571076639E-01 4.71792263626E-01 2.28381582125E-01 1.38626496462E-02 -1.03858583146E-01 -7.78194017437E-02 -2.72769757355E-02 1.75616135308E-03 2.70986301691E-05 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 7.33920559647E-01 1 2 3.55476782056E-01 2 2 -1.07432126682E-01 3 3 2.44667927837E+00 3 4 1.82927663012E+00 4 4 2.29386458239E+00 5 5 2.25858345383E+02 5 6 3.28167454675E+02 6 6 4.76938867376E+02 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.70000000000E+00 2 1.70000000000E+00 3 1.70000000000E+00 4 1.70000000000E+00 5 1.70000000000E+00 1 1 0 i j (l(j)) -5.03945153334E-01 Q_int 0.00000000000E+00 -4.79272894583E-19 -1.96593012728E-18 -4.53650138894E-18 -8.27206997153E-18 -1.32585221808E-17 -1.95868099400E-17 -2.73532272719E-17 -3.66597013801E-17 -4.76140990899E-17 -6.03305494468E-17 -7.49297833118E-17 -9.15394908380E-17 -1.10294697755E-16 -1.31338161442E-16 -1.54820787807E-16 -1.80902070065E-16 -2.09750550541E-16 -2.41544306696E-16 -2.76471462629E-16 -3.14730727377E-16 -3.56531961408E-16 -4.02096772747E-16 -4.51659144302E-16 -5.05466093969E-16 -5.63778369242E-16 -6.26871178095E-16 -6.95034958028E-16 -7.68576185230E-16 -8.47818225957E-16 -9.33102232293E-16 -1.02478808459E-15 -1.12325538300E-15 -1.22890449064E-15 -1.34215763106E-15 -1.46346004279E-15 -1.59328119398E-15 -1.73211606013E-15 -1.88048646829E-15 -2.03894251104E-15 -2.20806403401E-15 -2.38846220047E-15 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