Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: anonymous Generation date: 17Jun2008 Si 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 -1.08667413444 3S 1 0 0.00 1.40000000000 1.60000000000 -0.13600000000 3P 2 1 1.00 2.20000000000 2.40000000000 -0.55733275652 3P 2 1 0.00 2.20000000000 2.40000000000 -0.07100000000 3D 3 2 1.00 2.00000000000 2.00000000000 -0.04680250195 0 Version Number Si Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 4.00000000000 Z valence -6.98889112463 Total energy 18.372 249.156 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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-7.95002363334E+00 -8.01683619815E+00 -8.12207119561E+00 -8.26546853923E+00 -8.44612700737E+00 -8.66242746946E+00 -8.91195555602E+00 -9.19142540026E+00 -9.49660616353E+00 -9.82225355662E+00 -1.01620489690E+01 -1.05085493468E+01 -1.08531514572E+01 -1.11860748180E+01 -1.14963682287E+01 -1.17719454239E+01 -1.19996561786E+01 -1.21653996674E+01 -1.22542876807E+01 -1.22508654086E+01 -1.21393979765E+01 -1.19042304844E+01 -1.15302286807E+01 -1.10033058944E+01 -1.03110393512E+01 -9.44337533186E+00 -8.39341699239E+00 -7.15828121318E+00 -5.74000039790E+00 -4.14643146517E+00 -2.39211650233E+00 -4.99016589214E-01 1.50298858482E+00 3.57597902690E+00 5.67443965635E+00 7.74651707765E+00 9.73640164000E+00 1.15882328612E+01 1.32520301934E+01 1.46922788160E+01 1.58999565893E+01 1.69089810848E+01 1.77879086675E+01 1.85391628086E+01 1.91409176920E+01 1.95695196543E+01 1.97994317961E+01 1.98031913776E+01 1.95513830234E+01 1.90126310769E+01 1.81536143997E+01 1.69391085118E+01 1.53320484639E+01 1.32937187256E+01 1.07830821103E+01 7.76489331253E+00 4.13293616305E+00 4.58360053075E-01 -4.54436613550E-02 4.50546739791E-03 -4.46690019161E-04 4.42867573903E-05 -4.39062906889E-06 4.35235630063E-07 -4.30625022596E-08 4.22316726848E-09 -2.07630488277E-10 -6.29387599596E-11 2.20 2.40 3P 6 Number of nonzero Dij 1 1 4.80044539008E-01 1 2 7.66543755615E-01 2 2 1.07394726927E+00 3 3 1.81939585915E-01 3 4 1.56650515445E-01 4 4 1.37270917351E-01 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 0 i j (l(j)) -3.28603032071E-01 Q_int -3.68021659789E-09 -3.77338172439E-09 -3.86890533729E-09 -3.96684714194E-09 -4.06726835517E-09 -4.17023174350E-09 -4.27580166241E-09 -4.38404409652E-09 -4.49502670088E-09 -4.60881884322E-09 -4.72549164735E-09 -4.84511803756E-09 -4.96777278423E-09 -5.09353255058E-09 -5.22247594055E-09 -5.35468354795E-09 -5.49023800685E-09 -5.62922404319E-09 -5.77172852776E-09 -5.91784053050E-09 -6.06765137617E-09 -6.22125470143E-09 -6.37874651335E-09 -6.54022524943E-09 -6.70579183915E-09 -6.87554976700E-09 -7.04960513721E-09 -7.22806674006E-09 -7.41104611985E-09 -7.59865764464E-09 -7.79101857775E-09 -7.98824915102E-09 -8.19047263996E-09 -8.39781544085E-09 -8.61040714967E-09 -8.82838064315E-09 -9.05187216184E-09 -9.28102139518E-09 -9.51597156892E-09 -9.75686953454E-09 -1.00038658611E-08 -1.02571149294E-08 -1.05167750283E-08 -1.07830084537E-08 -1.10559816104E-08 -1.13358651153E-08 -1.16228339047E-08 -1.19170673435E-08 -1.22187493372E-08 -1.25280684468E-08 -1.28452180067E-08 -1.31703962459E-08 -1.35038064113E-08 -1.38456568950E-08 -1.41961613647E-08 -1.45555388972E-08 -1.49240141151E-08 -1.53018173273E-08 -1.56891846732E-08 -1.60863582699E-08 -1.64935863639E-08 -1.69111234859E-08 -1.73392306102E-08 -1.77781753178E-08 -1.82282319633E-08 -1.86896818467E-08 -1.91628133892E-08 -1.96479223134E-08 -2.01453118283E-08 -2.06552928182E-08 -2.11781840381E-08 -2.17143123118E-08 -2.22640127370E-08 -2.28276288944E-08 -2.34055130622E-08 -2.39980264369E-08 -2.46055393587E-08 -2.52284315427E-08 -2.58670923170E-08 -2.65219208651E-08 -2.71933264763E-08 -2.78817288009E-08 -2.85875581126E-08 -2.93112555777E-08 -3.00532735307E-08 -3.08140757568E-08 -3.15941377822E-08 -3.23939471709E-08 -3.32140038299E-08 -3.40548203210E-08 -3.49169221820E-08 -3.58008482545E-08 -3.67071510210E-08 -3.76363969502E-08 -3.85891668508E-08 -3.95660562351E-08 -4.05676756906E-08 -4.15946512619E-08 -4.26476248422E-08 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