Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: anonymous Generation date: 17Jun2008 Sih 0 The Pseudo was generated with a Non-Relativistic Calculation 2 2.0000000E+00 L component and cutoff radius for Local Potential nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 2.20000000000 2.40000000000 -1.82276732957 3S 1 0 0.00 1.40000000000 1.60000000000 -0.13600000000 3P 2 1 1.00 2.10000000000 2.30000000000 -1.20516990895 3P 2 1 0.00 2.10000000000 2.30000000000 -0.07100000000 3D 3 2 1.00 2.00000000000 2.00000000000 -0.38876467152 0 Version Number Si Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 5.00000000000 Z valence -11.15658086114 Total energy 20.709 257.570 Suggested cutoff for wfc and rho 2 Max angular momentum component 1141 Number of points in mesh 5 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 4S 0 0.00 3P 1 1.00 4P 1 0.00 3D 2 1.00 6.51344261110E-05 6.59537163335E-05 6.67833119583E-05 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If not zero, Qij's inside rinner are computed using qfcoef's 1 1 0 i j (l(j)) -4.34046711829E-01 Q_int -5.82296935491E-09 -5.97037852541E-09 -6.12151937680E-09 -6.27648637704E-09 -6.43537638552E-09 -6.59828871370E-09 -6.76532518706E-09 -6.93659020884E-09 -7.11219082525E-09 -7.29223679240E-09 -7.47684064486E-09 -7.66611776605E-09 -7.86018646033E-09 -8.05916802696E-09 -8.26318683587E-09 -8.47237040547E-09 -8.68684948229E-09 -8.90675812273E-09 -9.13223377685E-09 -9.36341737426E-09 -9.60045341224E-09 -9.84349004602E-09 -1.00926791814E-08 -1.03481765697E-08 -1.06101419051E-08 -1.08787389245E-08 -1.11541355096E-08 -1.14365037925E-08 -1.17260202623E-08 -1.20228658764E-08 -1.23272261728E-08 -1.26392913867E-08 -1.29592565690E-08 -1.32873217084E-08 -1.36236918561E-08 -1.39685772545E-08 -1.43221934682E-08 -1.46847615188E-08 -1.50565080232E-08 -1.54376653349E-08 -1.58284716898E-08 -1.62291713544E-08 -1.66400147791E-08 -1.70612587545E-08 -1.74931665716E-08 -1.79360081869E-08 -1.83900603909E-08 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