Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 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 -1.51543807600 3P 3 1 5.00 0.00000000000 1.30000000000 -0.62926841900 0 Version Number Cl Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 7.00000000000 Z valence -33.05855652110 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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-8.83779464493E-02 -6.68425570645E-02 -4.29346027607E-02 -2.26415818105E-02 -1.34334160287E-02 -2.40942128722E-02 -6.43475117840E-02 -1.44212851003E-01 -2.73029941152E-01 -4.58094148919E-01 -7.02869749454E-01 -1.00479485413E+00 -1.35277787254E+00 -1.72462956938E+00 -2.08490555589E+00 -2.38399128490E+00 -2.55980117775E+00 -2.54426480626E+00 -2.27792950417E+00 -1.73781076378E+00 -9.84906571856E-01 -2.52040523328E-01 9.84270625174E-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 1.88393933347E-01 1 2 -5.37193458392E+00 2 2 -4.09411686996E+00 3 3 -1.16381666768E+00 3 4 -3.79198856788E+00 4 4 -1.34068682479E+00 5 5 2.17052796066E+01 5 6 -2.21155499897E+01 6 6 2.24829920423E+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)) -6.10562571439E-01 Q_int 0.00000000000E+00 -9.82374358930E-12 -3.99581534217E-11 -9.14274134813E-11 -1.65296065337E-10 -2.62670470900E-10 -3.84700326360E-10 -5.32580229049E-10 -7.07551299072E-10 -9.10902857567E-10 -1.14397416357E-09 -1.40815621145E-09 -1.70489359109E-09 -2.03568641284E-09 -2.40209229959E-09 -2.80572844819E-09 -3.24827376262E-09 -3.73147106141E-09 -4.25712936180E-09 -4.82712624331E-09 -5.44341029344E-09 -6.10800363829E-09 -6.82300456107E-09 -7.59059021147E-09 -8.41301940900E-09 -9.29263554355E-09 -1.02318695765E-08 -1.12332431458E-08 -1.22993717786E-08 -1.34329682151E-08 -1.46368458474E-08 -1.59139222775E-08 -1.72672229981E-08 -1.86998852009E-08 -2.02151617164E-08 -2.18164250899E-08 -2.35071717979E-08 -2.52910266108E-08 -2.71717471059E-08 -2.91532283354E-08 -3.12395076567E-08 -3.34347697285E-08 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