Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.30000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.30000000000 -1.52099208300 3P 3 1 5.00 0.00000000000 1.30000000000 -0.63982946200 0 Version Number Cl Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 7.00000000000 Z valence -33.12073695070 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 909 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 5.00 0.00000000000E+00 9.01493505081E-07 1.81813780785E-06 2.75018753762E-06 3.69790160308E-06 4.66154326424E-06 5.64138020553E-06 6.63768461018E-06 7.65073323582E-06 8.68080749136E-06 9.72819351516E-06 1.07931822545E-05 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-9.74103087261E-02 -7.72470955303E-02 -5.46626596174E-02 -3.55800094983E-02 -2.73927791995E-02 -3.87985981906E-02 -7.94275179384E-02 -1.59203770832E-01 -2.87377598481E-01 -4.71171244816E-01 -7.14005810106E-01 -1.01332278242E+00 -1.35809942839E+00 -1.72630045825E+00 -2.08273760138E+00 -2.37816358073E+00 -2.55096293570E+00 -2.53359818066E+00 -2.26711855354E+00 -1.72882981236E+00 -9.79491602402E-01 -2.50648753761E-01 9.83349848923E-03 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 1.57644158673E-01 1 2 -5.41581159615E+00 2 2 -3.95812920463E+00 3 3 -9.97954857141E-01 3 4 -3.67247335669E+00 4 4 -1.18420992497E+00 5 5 2.23955735175E+01 5 6 -2.27188530780E+01 6 6 2.30046491968E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.30000000000E+00 2 1.30000000000E+00 3 1.30000000000E+00 4 1.30000000000E+00 5 1.30000000000E+00 1 1 0 i j (l(j)) -6.13937595252E-01 Q_int 0.00000000000E+00 -9.87606113438E-12 -4.01709554430E-11 -9.19143213268E-11 -1.66176369700E-10 -2.64069354541E-10 -3.86749094885E-10 -5.35416550039E-10 -7.11319449843E-10 -9.15753981874E-10 -1.15006653755E-09 -1.41565551916E-09 -1.71397320992E-09 -2.04652770921E-09 -2.41488493521E-09 -2.82067069737E-09 -3.26557284086E-09 -3.75134346582E-09 -4.27980122363E-09 -4.85283369308E-09 -5.47239983911E-09 -6.14053255690E-09 -6.85934130433E-09 -7.63101482576E-09 -8.45782397033E-09 -9.34212460793E-09 -1.02863606463E-08 -1.12930671528E-08 -1.23648735837E-08 -1.35045071263E-08 -1.47147961558E-08 -1.59986738122E-08 -1.73591817009E-08 -1.87994737211E-08 -2.03228200266E-08 -2.19326111235E-08 -2.36323621094E-08 -2.54257170588E-08 -2.73164535603E-08 -2.93084874099E-08 -3.14058774663E-08 -3.36128306741E-08 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