Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.70000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.60000000000 -0.79999200400 3P 3 1 2.00 0.00000000000 1.60000000000 -0.30639249400 0 Version Number Si Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 4.00000000000 Z valence -9.19231808203 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 899 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 2.00 0.00000000000E+00 1.09467068474E-06 2.20773876668E-06 3.33951343854E-06 4.49030908945E-06 5.66044539229E-06 6.85024739243E-06 8.06004559807E-06 9.29017607207E-06 1.05409805252E-05 1.18128064113E-05 1.31060070233E-05 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-1.72576711409E-03 -1.81172856097E-03 -1.90187576724E-03 -1.99640408983E-03 -2.09551737215E-03 -2.19942811078E-03 -2.30835782229E-03 -2.42253711226E-03 -2.54220633970E-03 -2.66761565086E-03 -2.79902532573E-03 -2.93670604973E-03 -3.08093954820E-03 -3.23201809030E-03 -3.39024572393E-03 -3.55593780960E-03 -3.72942177590E-03 -3.91103679104E-03 -4.10113493305E-03 -4.30008015104E-03 -4.50824966564E-03 -4.72603331643E-03 -4.95383396227E-03 -5.19206778004E-03 -5.44116383107E-03 -5.70156446421E-03 -5.97372528981E-03 -6.25811464780E-03 -6.55521388946E-03 -6.86551696074E-03 -7.18952987352E-03 -7.52777055773E-03 -7.88076833701E-03 -8.24906286615E-03 -8.63320378583E-03 -9.03374977594E-03 -9.45126697580E-03 -9.88632851995E-03 -1.03395123118E-02 -1.08113999783E-02 -1.13025745225E-02 -1.18136187250E-02 -1.23451119327E-02 -1.28976284382E-02 -1.34717333533E-02 -1.40679801474E-02 -1.46869062000E-02 -1.53290291044E-02 -1.59948418078E-02 -1.66848074004E-02 -1.73993542101E-02 -1.81388678081E-02 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-2.03953478841E-02 -1.45115899994E-02 -7.96300725061E-03 -7.08451373967E-04 7.29367296354E-03 1.60851132472E-02 2.57074262392E-02 3.62015802236E-02 4.76074992984E-02 5.99635484275E-02 7.33059480038E-02 8.76681211352E-02 1.03079966648E-01 1.19567054752E-01 1.37149745272E-01 1.55842226280E-01 1.75651470014E-01 1.96576118287E-01 2.18605284849E-01 2.41717299856E-01 2.65878385179E-01 2.91041294742E-01 3.17143914484E-01 3.44107857932E-01 3.71837076794E-01 4.00216516129E-01 4.29110857368E-01 4.58363383371E-01 4.87795033756E-01 5.17203686547E-01 5.46363762897E-01 5.75026202681E-01 6.02918922237E-01 6.29747825129E-01 6.55198489865E-01 6.78938619097E-01 7.00621383055E-01 7.19889756663E-01 7.36381967560E-01 7.49738162969E-01 7.59608376009E-01 7.65661879126E-01 7.67597941851E-01 7.65158015623E-01 7.58139258572E-01 7.46409298830E-01 7.29921978090E-01 7.08733779001E-01 6.83020428493E-01 6.53093077999E-01 6.19413226659E-01 5.82605380749E-01 5.43466190021E-01 5.02968569441E-01 4.62259071766E-01 4.22646501410E-01 3.85579599293E-01 3.52611405958E-01 3.25347913910E-01 3.05378630577E-01 2.94187033429E-01 2.93039382780E-01 3.02851404582E-01 3.24033689120E-01 3.56318799803E-01 3.98575817271E-01 4.48621789178E-01 5.03044231016E-01 5.57054631663E-01 6.04399819096E-01 6.37365828041E-01 6.46917329444E-01 6.23023805468E-01 5.55230258431E-01 4.33533093190E-01 2.49617485587E-01 -1.50416729522E-03 -3.19449922624E-01 -6.96087572480E-01 -1.11299687015E+00 -1.53914280779E+00 -1.92941810010E+00 -2.22515224523E+00 -2.35833529767E+00 -2.26226083038E+00 -1.89261032647E+00 -1.26546272001E+00 -5.16568988430E-01 -3.74467168422E-02 3.94053014683E-03 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 4.47005930727E-01 1 2 -4.05120514539E+00 2 2 -3.15994502316E+00 3 3 -1.72849888358E+00 3 4 4.16427209582E+00 4 4 -1.23553174742E+00 5 5 3.11114001943E+00 5 6 -5.15998071051E+00 6 6 8.43090895345E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.00000000000E-01 2 9.00000000000E-01 3 9.00000000000E-01 4 9.00000000000E-01 5 9.00000000000E-01 1 1 0 i j (l(j)) -6.01587501589E-01 Q_int 0.00000000000E+00 1.58303476884E-13 6.43900622499E-13 1.47329551912E-12 2.66364258517E-12 4.23277014647E-12 6.19920483214E-12 8.58219682350E-12 1.14017459853E-11 1.46786289097E-11 1.84344269044E-11 2.26915549569E-11 2.74732917098E-11 3.28038104798E-11 3.87082113584E-11 4.52125544296E-11 5.23438941450E-11 6.01303148933E-11 6.86009678085E-11 7.77861088558E-11 8.77171382426E-11 9.84266411968E-11 1.09948430161E-10 1.22317588454E-10 1.35570515439E-10 1.49744973268E-10 1.64880135239E-10 1.81016635833E-10 1.98196622479E-10 2.16463809117E-10 2.35863531612E-10 2.56442805083E-10 2.78250383221E-10 3.01336819649E-10 3.25754531411E-10 3.51557864649E-10 3.78803162549E-10 4.07548835638E-10 4.37855434500E-10 4.69785725007E-10 5.03404766141E-10 5.38779990500E-10 5.75981287585E-10 6.15081089950E-10 6.56154462322E-10 6.99279193796E-10 7.44535893197E-10 7.92008087730E-10 8.41782325024E-10 8.93948278686E-10 9.48598857489E-10 1.00583031831E-09 1.06574238295E-09 1.12843835899E-09 1.19402526475E-09 1.26261395862E-09 1.33431927275E-09 1.40926015136E-09 1.48755979388E-09 1.56934580282E-09 1.65475033692E-09 1.74391026942E-09 1.83696735178E-09 1.93406838308E-09 2.03536538513E-09 2.14101578367E-09 2.25118259576E-09 2.36603462352E-09 2.48574665460E-09 2.61049966949E-09 2.74048105592E-09 2.87588483057E-09 3.01691186844E-09 3.16377014002E-09 3.31667495658E-09 3.47584922391E-09 3.64152370464E-09 3.81393728961E-09 3.99333727851E-09 4.17997967010E-09 4.37412946236E-09 4.57606096288E-09 4.78605810990E-09 5.00441480431E-09 5.23143525293E-09 5.46743432363E-09 5.71273791246E-09 5.96768332346E-09 6.23261966125E-09 6.50790823723E-09 6.79392298949E-09 7.09105091712E-09 7.39969252936E-09 7.72026231000E-09 8.05318919775E-09 8.39891708283E-09 8.75790532067E-09 9.13062926301E-09 9.51758080715E-09 9.91926896396E-09 1.03362204452E-08 1.07689802708E-08 1.12181123973E-08 1.16842003666E-08 1.21678479783E-08 1.26696799838E-08 1.31903428046E-08 1.37305052746E-08 1.42908594085E-08 1.48721211952E-08 1.54750314197E-08 1.61003565114E-08 1.67488894222E-08 1.74214505348E-08 1.81188886009E-08 1.88420817119E-08 1.95919383030E-08 2.03693981906E-08 2.11754336457E-08 2.20110505035E-08 2.28772893107E-08 2.37752265122E-08 2.47059756773E-08 2.56706887689E-08 2.66705574543E-08 2.77068144622E-08 2.87807349841E-08 2.98936381250E-08 3.10468884018E-08 3.22418972943E-08 3.34801248471E-08 3.47630813273E-08 3.60923289380E-08 3.74694835899E-08 3.88962167329E-08 4.03742572505E-08 4.19053934181E-08 4.34914749274E-08 4.51344149803E-08 4.68361924534E-08 4.85988541357E-08 5.04245170429E-08 5.23153708096E-08 5.42736801627E-08 5.63017874790E-08 5.84021154293E-08 6.05771697120E-08 6.28295418798E-08 6.51619122614E-08 6.75770529834E-08 7.00778310932E-08 7.26672117888E-08 7.53482617574E-08 7.81241526274E-08 8.09981645367E-08 8.39736898227E-08 8.70542368362E-08 9.02434338853E-08 9.35450333118E-08 9.69629157064E-08 1.00501094266E-07 1.04163719298E-07 1.07955082877E-07 1.11879623661E-07 1.15941931866E-07 1.20146754413E-07 1.24499000245E-07 1.29003745830E-07 1.33666240840E-07 1.38491914030E-07 1.43486379312E-07 1.48655442034E-07 1.54005105474E-07 1.59541577546E-07 1.65271277737E-07 1.71200844281E-07 1.77337141566E-07 1.83687267798E-07 1.90258562919E-07 1.97058616794E-07 2.04095277671E-07 2.11376660928E-07 2.18911158113E-07 2.26707446286E-07 2.34774497680E-07 2.43121589679E-07 2.51758315142E-07 2.60694593058E-07 2.69940679576E-07 2.79507179389E-07 2.89405057511E-07 2.99645651444E-07 3.10240683750E-07 3.21202275051E-07 3.32542957453E-07 3.44275688432E-07 3.56413865172E-07 3.68971339391E-07 3.81962432656E-07 3.95401952210E-07 4.09305207330E-07 4.23688026225E-07 4.38566773502E-07 4.53958368207E-07 4.69880302472E-07 4.86350660777E-07 5.03388139854E-07 5.21012069249E-07 5.39242432568E-07 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