Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 4 6 2013 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.25000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 0.00000000000 1.25000000000 -0.69372928000 2P 2 1 1.00 0.00000000000 1.25000000000 -0.26523786600 0 Version Number B Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 3.00000000000 Z valence -6.00744913082 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 1 Max angular momentum component 781 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 1.00 0.00000000000E+00 3.06507791728E-06 6.18166854669E-06 9.35063762790E-06 1.25728654505E-05 1.58492470984E-05 1.91806926988E-05 2.25681276746E-05 2.60124930018E-05 2.95147454706E-05 3.30758579515E-05 3.66968196654E-05 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-3.15866935374E-02 7.02393868423E-02 1.72930352404E-01 2.75832587379E-01 3.78228379691E-01 4.79337069530E-01 5.78317594854E-01 6.74272561208E-01 7.66254064633E-01 8.53271635858E-01 9.34302407625E-01 1.00830395462E+00 1.07422988689E+00 1.13104861919E+00 1.17776534359E+00 1.21344753401E+00 1.23725388163E+00 1.24846676585E+00 1.24652790216E+00 1.23107687469E+00 1.20199171380E+00 1.15943052707E+00 1.10387260901E+00 1.03615681241E+00 9.57514429528E-01 8.69592582975E-01 7.74463326728E-01 6.74611915888E-01 5.72896289436E-01 4.72467424928E-01 3.76638029632E-01 2.88683632178E-01 2.11557035430E-01 1.47491867493E-01 9.74709679400E-02 6.04854851458E-02 3.29246028935E-02 -5.88152737028E-04 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 6 Number of nonzero Dij 1 1 -1.22873815109E-01 1 2 -5.61912458144E+00 2 2 -5.87789890874E+00 3 3 9.71393906034E+00 3 4 2.46444027912E+01 4 4 6.13899360806E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.10000000000E+00 2 1.10000000000E+00 3 1.10000000000E+00 1 1 0 i j (l(j)) -5.06674546795E-01 Q_int 0.00000000000E+00 -1.15807349032E-10 -4.71047292450E-10 -1.07779343838E-09 -1.94859515081E-09 -3.09649479331E-09 -4.53504557603E-09 -6.27833002676E-09 -8.34097910739E-09 -1.07381919982E-08 -1.34857565728E-08 -1.66000705872E-08 -2.00981636086E-08 -2.39977197076E-08 -2.83171009416E-08 -3.30753716561E-08 -3.82923236316E-08 -4.39885021054E-08 -5.01852326984E-08 -5.69046492783E-08 -6.41697227904E-08 -7.20042910900E-08 -8.04330898106E-08 -8.94817843029E-08 -9.91770026822E-08 -1.09546370022E-07 -1.20618543730E-07 -1.32423250158E-07 -1.44991322466E-07 -1.58354739811E-07 -1.72546667884E-07 -1.87601500855E-07 -2.03554904759E-07 -2.20443862397E-07 -2.38306719772E-07 -2.57183234144E-07 -2.77114623738E-07 -2.98143619166E-07 -3.20314516628E-07 -3.43673232950E-07 -3.68267362515E-07 -3.94146236164E-07 -4.21360982121E-07 -4.49964589026E-07 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