Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 15 6 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.80000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.75000000000 -6.54189844200 3P 3 1 6.00 0.00000000000 1.75000000000 -4.44971014400 4S 4 0 1.60 0.00000000000 1.75000000000 -0.92794689100 3D 3 2 3.40 0.00000000000 1.80000000000 -1.24879046500 0 Version Number Cr Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 14.00000000000 Z valence -173.95204350500 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 857 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 6.00 4S 0 1.60 3D 2 3.40 0.00000000000E+00 1.76545037833E-06 3.56107866699E-06 5.38740071525E-06 7.24494119008E-06 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6.93782259553E-02 7.28025299303E-02 7.63885300845E-02 8.01432139584E-02 8.40738121428E-02 8.81878014308E-02 9.24929064508E-02 9.69971015441E-02 1.01708611306E-01 1.06635910173E-01 1.11787721150E-01 1.17173013481E-01 1.22800998782E-01 1.28681125703E-01 1.34823073651E-01 1.41236743211E-01 1.47932247184E-01 1.54919896306E-01 1.62210185326E-01 1.69813775177E-01 1.77741472354E-01 1.86004205584E-01 1.94612999312E-01 2.03578942383E-01 2.12913154730E-01 2.22626747796E-01 2.32730781729E-01 2.43236216884E-01 2.54153860188E-01 2.65494306025E-01 2.77267870350E-01 2.89484518899E-01 3.02153788016E-01 3.15284697799E-01 3.28885658190E-01 3.42964365682E-01 3.57527692047E-01 3.72581562649E-01 3.88130827162E-01 4.04179116865E-01 4.20728694968E-01 4.37780293036E-01 4.55332937621E-01 4.73383765168E-01 4.91927824009E-01 5.10957866826E-01 5.30464126442E-01 5.50434086489E-01 5.70852231749E-01 5.91699796097E-01 6.12954489984E-01 6.34590227504E-01 6.56576833390E-01 6.78879753686E-01 7.01459746946E-01 7.24272583957E-01 7.47268731593E-01 7.70393049977E-01 7.93584480211E-01 8.16775750891E-01 8.39893085048E-01 8.62855933045E-01 8.85576717909E-01 9.07960617528E-01 9.29905372866E-01 9.51301147840E-01 9.72030435089E-01 9.91968024003E-01 1.01098104618E+00 1.02892909608E+00 1.04566445904E+00 1.06103243917E+00 1.07487182280E+00 1.08701547256E+00 1.09729108939E+00 1.10552213678E+00 1.11152896990E+00 1.11513016064E+00 1.11614406223E+00 1.11439060672E+00 1.10969337381E+00 1.10188192260E+00 1.09079442422E+00 1.07628057740E+00 1.05820483749E+00 1.03644994268E+00 1.01092073224E+00 9.81548260107E-01 9.48294149095E-01 9.11155189008E-01 8.70168093655E-01 8.25414387030E-01 7.77025312273E-01 7.25186683148E-01 6.70143540548E-01 6.12204485940E-01 5.51745495513E-01 4.89213045440E-01 4.25126285482E-01 3.60078033752E-01 2.94734273198E-01 2.29831860724E-01 1.66174080051E-01 1.04623698005E-01 4.60931366410E-02 -8.46861608387E-03 -5.80927033466E-02 -1.01811064308E-01 -1.38681306683E-01 -1.67816014796E-01 -1.88416528172E-01 -1.99811127765E-01 -2.01497293461E-01 -1.93187488029E-01 -1.74857525638E-01 -1.46796246872E-01 -1.09654687927E-01 -6.44924456079E-02 -1.28182735048E-02 4.33786646409E-02 1.01611206932E-01 1.58895240264E-01 2.11775039496E-01 2.56379030638E-01 2.88512452938E-01 3.03793313183E-01 2.97837487695E-01 2.66497573153E-01 2.06157833353E-01 1.14084177744E-01 -1.11769758873E-02 -1.69363994185E-01 -3.58051784826E-01 -5.72224049254E-01 -8.03914651532E-01 -1.04198391113E+00 -1.27211514711E+00 -1.47713739814E+00 -1.63779991664E+00 -1.73413899719E+00 -1.74758217829E+00 -1.66391944920E+00 -1.47722186170E+00 -1.19468630597E+00 -8.42179865738E-01 -4.70111823452E-01 -1.57120335899E-01 -2.40849644354E-02 -3.41358440390E-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 9 Number of nonzero Dij 1 1 3.12800938813E+00 1 2 -1.96047931517E+01 2 2 9.88775997955E+01 3 3 2.62162828847E+00 3 4 -7.34266174758E+00 4 4 1.57360850160E+01 5 5 3.12645069877E+01 5 6 4.29155184398E+01 6 6 5.86168754645E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.50000000000E-01 2 9.50000000000E-01 3 9.50000000000E-01 4 9.50000000000E-01 5 9.50000000000E-01 1 1 0 i j (l(j)) -1.45866985968E-02 Q_int 0.00000000000E+00 -3.24157599270E-12 -1.31888919990E-11 -3.01858726594E-11 -5.45902276250E-11 -8.67739597893E-11 -1.27123891608E-10 -1.76042210135E-10 -2.33947031440E-10 -3.01272985070E-10 -3.78471819273E-10 -4.66013027697E-10 -5.64384498323E-10 -6.74093185406E-10 -7.95665805228E-10 -9.29649556496E-10 -1.07661286625E-09 -1.23714616214E-09 -1.41186267210E-09 -1.60139925217E-09 -1.80641724368E-09 -2.02760336070E-09 -2.26567060875E-09 -2.52135923604E-09 -2.79543771821E-09 -3.08870377780E-09 -3.40198543970E-09 -3.73614212375E-09 -4.09206577585E-09 -4.47068203891E-09 -4.87295146500E-09 -5.29987077015E-09 -5.75247413333E-09 -6.23183454105E-09 -6.73906517926E-09 -7.27532087418E-09 -7.84179958366E-09 -8.43974394102E-09 -9.07044285304E-09 -9.73523315399E-09 -1.04355013178E-08 -1.11726852300E-08 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