Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 8.00000000000E-01 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 1.00 10.00000000000 0.80000000000 -0.47731045614 0 Version Number H Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA LYP B88 BLYP BLYP Exchange-Correlation functional 1.00000000000 Z valence -0.92436655547 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 0 Max angular momentum component 615 Number of points in mesh 1 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 1.00 0.00000000000E+00 4.23708090800E-05 8.54658880079E-05 1.29297617166E-04 1.73878588562E-04 2.19221609446E-04 2.65339705991E-04 3.12246127033E-04 3.59954347880E-04 4.08478074179E-04 4.57831245860E-04 5.08028041132E-04 5.59082880565E-04 6.11010431224E-04 6.63825610891E-04 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-5.01825451223E-01 -5.26283790607E-01 -5.50407352147E-01 -5.74049130928E-01 -5.97047857486E-01 -6.19227287798E-01 -6.40395526066E-01 -6.60344397824E-01 -6.78848886807E-01 -6.95666660933E-01 -7.10537703666E-01 -7.23184082947E-01 -7.33309884012E-01 -7.40601341207E-01 -7.44727207215E-01 -7.45339401821E-01 -7.42073989379E-01 -7.34552537042E-01 -7.22383913691E-01 -7.05166593641E-01 -6.82491536630E-01 -6.53945719624E-01 -6.19116404548E-01 -5.77596228341E-01 -5.28989209654E-01 -4.72917767668E-01 -4.09030853365E-01 -3.37013292281E-01 -2.56596435961E-01 -1.67570216113E-01 -6.97966801792E-02 3.67749233230E-02 1.52091467757E-01 2.75977671412E-01 4.08116252811E-01 5.48026614108E-01 6.95042220975E-01 8.48286948891E-01 1.00665078978E+00 1.16876547202E+00 1.33298074493E+00 1.49734232538E+00 1.65957280990E+00 1.81705723017E+00 1.96683539142E+00 2.10560369464E+00 2.22972982757E+00 2.33528454103E+00 2.41809572883E+00 2.47383124584E+00 2.49811835493E+00 2.48670945168E+00 2.43570581982E+00 2.34185369269E+00 2.20292991317E+00 2.01823808754E+00 1.78924042846E+00 1.52035561186E+00 1.21995905027E+00 9.01629525675E-01 5.85692184697E-01 3.01143211351E-01 8.78123621473E-02 9.63603328789E-04 -9.40040034536E-05 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 1 Number of nonzero Dij 1 1 -4.65067942638E-01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 1 1 0 i j (l(j)) 2.75244999245E-01 Q_int 0.00000000000E+00 2.03109435438E-08 8.26384556144E-08 1.89137479228E-07 3.42049325447E-07 5.43704856946E-07 7.96527784813E-07 1.10303808253E-06 1.46585552124E-06 1.88770333052E-06 2.37141198907E-06 2.91992314985E-06 3.53629370429E-06 4.22369999059E-06 4.98544215091E-06 5.82494864284E-06 6.74578091045E-06 7.75163822041E-06 8.84636266912E-06 1.00339443666E-05 1.13185268033E-05 1.27044124066E-05 1.41960682929E-05 1.57981322227E-05 1.75154187654E-05 1.93529256816E-05 2.13158405292E-05 2.34095475030E-05 2.56396345144E-05 2.80119005195E-05 3.05323631060E-05 3.32072663450E-05 3.60430889201E-05 3.90465525404E-05 4.22246306496E-05 4.55845574402E-05 4.91338371838E-05 5.28802538877E-05 5.68318812906E-05 6.09970932081E-05 6.53845742395E-05 7.00033308500E-05 7.48627028402E-05 7.99723752161E-05 8.53423904745E-05 9.09831613169E-05 9.69054838078E-05 1.03120550992E-04 1.09639966986E-04 1.16475761563E-04 1.23640405244E-04 1.31146824917E-04 1.39008419996E-04 1.47239079151E-04 1.55853197607E-04 1.64865695060E-04 1.74292034203E-04 1.84148239906E-04 1.94450919055E-04 2.05217281083E-04 2.16465159215E-04 2.28213032448E-04 2.40480048295E-04 2.53286046316E-04 2.66651582468E-04 2.80597954292E-04 2.95147226978E-04 3.10322260331E-04 3.26146736671E-04 3.42645189689E-04 3.59843034315E-04 3.77766597604E-04 3.96443150700E-04 4.15900941893E-04 4.36169230822E-04 4.57278323859E-04 4.79259610705E-04 5.02145602255E-04 5.25969969758E-04 5.50767585333E-04 5.76574563870E-04 6.03428306375E-04 6.31367544802E-04 6.60432388429E-04 6.90664371812E-04 7.22106504401E-04 7.54803321836E-04 7.88800939016E-04 8.24147104970E-04 8.60891259616E-04 8.99084592445E-04 9.38780103223E-04 9.80032664753E-04 1.02289908778E-03 1.06743818809E-03 1.11371085594E-03 1.16178012780E-03 1.21171126051E-03 1.26357180807E-03 1.31743170087E-03 1.37336332775E-03 1.43144162072E-03 1.49174414265E-03 1.55435117785E-03 1.61934582567E-03 1.68681409739E-03 1.75684501624E-03 1.82953072081E-03 1.90496657198E-03 1.98325126338E-03 2.06448693559E-03 2.14877929411E-03 2.23623773130E-03 2.32697545238E-03 2.42110960564E-03 2.51876141690E-03 2.62005632854E-03 2.72512414303E-03 2.83409917131E-03 2.94712038592E-03 3.06433157933E-03 3.18588152737E-03 3.31192415801E-03 3.44261872577E-03 3.57812999168E-03 3.71862840920E-03 3.86429031613E-03 4.01529813278E-03 4.17184056651E-03 4.33411282286E-03 4.50231682347E-03 4.67666143100E-03 4.85736268122E-03 5.04464402247E-03 5.23873656274E-03 5.43987932455E-03 5.64831950788E-03 5.86431276130E-03 6.08812346161E-03 6.32002500218E-03 6.56030009023E-03 6.80924105323E-03 7.06715015473E-03 7.33433991990E-03 7.61113347082E-03 7.89786487200E-03 8.19487948629E-03 8.50253434129E-03 8.82119850678E-03 9.15125348314E-03 9.49309360122E-03 9.84712643376E-03 1.02137732187E-02 1.05934692945E-02 1.09866645479E-02 1.13938238742E-02 1.18154276505E-02 1.22519722211E-02 1.27039703976E-02 1.31719519712E-02 1.36564642389E-02 1.41580725439E-02 1.46773608294E-02 1.52149322068E-02 1.57714095383E-02 1.63474360333E-02 1.69436758599E-02 1.75608147702E-02 1.81995607406E-02 1.88606446264E-02 1.95448208312E-02 2.02528679900E-02 2.09855896673E-02 2.17438150690E-02 2.25283997681E-02 2.33402264441E-02 2.41802056359E-02 2.50492765072E-02 2.59484076247E-02 2.68785977473E-02 2.78408766277E-02 2.88363058234E-02 2.98659795177E-02 3.09310253492E-02 3.20326052488E-02 3.31719162829E-02 3.43501915018E-02 3.55687007907E-02 3.68287517238E-02 3.81316904161E-02 3.94789023750E-02 4.08718133459E-02 4.23118901509E-02 4.38006415180E-02 4.53396188971E-02 4.69304172592E-02 4.85746758760E-02 5.02740790759E-02 5.20303569707E-02 5.38452861500E-02 5.57206903368E-02 5.76584409995E-02 5.96604579141E-02 6.17287096690E-02 6.38652141074E-02 6.60720386966E-02 6.83513008192E-02 7.07051679739E-02 7.31358578785E-02 7.56456384635E-02 7.82368277454E-02 8.09117935665E-02 8.36729531903E-02 8.65227727356E-02 8.94637664359E-02 9.24984957084E-02 9.56295680127E-02 9.88596354838E-02 1.02191393317E-01 1.05627577882E-01 1.09170964554E-01 1.12824365215E-01 1.16590625429E-01 1.20472621240E-01 1.24473255570E-01 1.28595454195E-01 1.32842161254E-01 1.37216334265E-01 1.41720938604E-01 1.46358941414E-01 1.51133304901E-01 1.56046978973E-01 1.61102893182E-01 1.66303947911E-01 1.71653004772E-01 1.77152876147E-01 1.82806313836E-01 1.88615996740E-01 1.94584517537E-01 2.00714368280E-01 2.07007924866E-01 2.13467430315E-01 2.20094976786E-01 2.26892486288E-01 2.33861690001E-01 2.41004106171E-01 2.48321016494E-01 2.55813440954E-01 2.63482111052E-01 2.71327441364E-01 2.79349499414E-01 2.87547973791E-01 2.95922140502E-01 3.04470827540E-01 3.13192377650E-01 3.22084609311E-01 3.31144775952E-01 3.40369523445E-01 3.49754845950E-01 3.59296040185E-01 3.68987658259E-01 3.78823459207E-01 3.88796359422E-01 3.98898382210E-01 4.09120606740E-01 4.19453116722E-01 4.29884949167E-01 4.40404043689E-01 4.50997192831E-01 4.61649993988E-01 4.72346803543E-01 4.83070693964E-01 4.93803414598E-01 5.04525357073E-01 5.15215526215E-01 5.25851517518E-01 5.36409502256E-01 5.46864221382E-01 5.57188989446E-01 5.67355709778E-01 5.77334902221E-01 5.87095744703E-01 5.96606129902E-01 6.05832738216E-01 6.14741128116E-01 6.23295844847E-01 6.31460548187E-01 6.39198159737E-01 6.46471029818E-01 6.53241123655E-01 6.59470225948E-01 6.65120162331E-01 6.70153035470E-01 6.74531472690E-01 6.78218881108E-01 6.81179705165E-01 6.83379680360E-01 6.84786075812E-01 6.85367917072E-01 6.85096179501E-01 6.83943941484E-01 6.81886485964E-01 6.78901338270E-01 6.74968228295E-01 6.70068965681E-01 6.64187218307E-01 6.57308187039E-01 6.49418173828E-01 6.40504046085E-01 6.30552608148E-01 6.19549900868E-01 6.07480463247E-01 5.94326605708E-01 5.80067763249E-01 5.64680018019E-01 5.48135904560E-01 5.30404635932E-01 5.11452913848E-01 4.91246508272E-01 4.69752808424E-01 4.46944552991E-01 4.22804936335E-01 3.97334251490E-01 3.70558159698E-01 3.42537558015E-01 3.13379837604E-01 2.83251071046E-01 2.52388324231E-01 2.21110847824E-01 1.89828365574E-01 1.59044060737E-01 1.29349218280E-01 1.01405912688E-01 7.59138260031E-02 5.35575547004E-02 3.49321305085E-02 2.04477472678E-02 1.02210959365E-02 3.97214067415E-03 9.64417501942E-04 5.81206925472E-05 -5.63836968348E-06 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 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 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 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 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 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 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 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