Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 1 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 0.00000000000 2.00000000000 -2.48470062500 5S 5 0 2.00 0.00000000000 1.70000000000 -1.30914304700 5P 5 1 1.00 0.00000000000 1.80000000000 -0.75377114500 0 Version Number Sn Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 14.00000000000 Z valence -158.46448613400 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 891 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 2.00 5P 1 1.00 0.00000000000E+00 1.14441022725E-09 2.31779133734E-09 3.52087673165E-09 4.75441837771E-09 6.01918727922E-09 7.31597395790E-09 8.64558894766E-09 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2.39394113425E-11 2.42448405669E-11 2.45315548702E-11 2.48033871784E-11 2.50521179900E-11 2.52791891876E-11 2.54805989135E-11 2.56511007725E-11 2.57914295137E-11 2.58929784932E-11 2.59559214963E-11 2.59741263294E-11 2.59439126730E-11 2.58557713159E-11 2.57113249906E-11 2.54991651513E-11 2.52140292107E-11 2.48524501656E-11 2.43977074250E-11 2.38526779764E-11 2.32003158898E-11 2.24345336645E-11 2.15457701947E-11 2.05158816028E-11 1.93419373029E-11 1.80048863510E-11 1.64914723706E-11 1.47886684097E-11 1.28717227311E-11 1.07337994488E-11 8.34724850656E-12 5.69304752155E-12 2.75162876239E-12 -5.11414808305E-13 -4.11044605548E-12 -8.08153313209E-12 -1.24563116174E-11 -1.72609546507E-11 -2.25468992101E-11 -2.83355035934E-11 -3.46810182083E-11 -4.16239384444E-11 -4.92137452721E-11 -5.75112494107E-11 -6.65613801344E-11 -7.64336752462E-11 -8.71962320326E-11 -9.89121203792E-11 -1.11676038173E-10 -1.25553965992E-10 -1.40644510828E-10 -1.57049162340E-10 -1.74861403355E-10 -1.94215106084E-10 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-1.58716448479E-08 -1.71299135694E-08 -1.84867242573E-08 -1.99498334376E-08 -2.15274402355E-08 -2.32285345587E-08 -2.50627448636E-08 -2.70404171635E-08 -2.91728265834E-08 -3.14719384149E-08 -3.39508076069E-08 -3.66234589590E-08 -3.95049466169E-08 -4.26116679101E-08 -4.59610482460E-08 -4.95720863965E-08 -5.34651679029E-08 -5.76622492807E-08 -6.21871074910E-08 -6.70651839040E-08 -7.23240880364E-08 -7.79934758108E-08 -8.41053103817E-08 -9.06941818123E-08 -9.77971221421E-08 -1.05454281240E-07 -1.13708850372E-07 -1.22607305116E-07 -1.32199985746E-07 -1.42540768286E-07 -1.53688118968E-07 -1.65704816716E-07 -1.78658543875E-07 -1.92622479612E-07 -2.07675137010E-07 -2.23901425936E-07 -2.41392832762E-07 -2.60247767124E-07 -2.80572706636E-07 -3.02481917738E-07 -3.26098944041E-07 -3.51556852753E-07 -3.78998935574E-07 -4.08579974807E-07 -4.40466327611E-07 -4.74837775245E-07 -5.11887799922E-07 -5.51825067171E-07 -5.94874571594E-07 -6.41278596536E-07 -6.91298523016E-07 -7.45215969310E-07 -8.03334505653E-07 -8.65981516676E-07 -9.33509438883E-07 -1.00629867918E-06 -1.08475894500E-06 -1.16933184919E-06 -1.26049377505E-06 -1.35875753600E-06 -1.46467651648E-06 -1.57884684975E-06 -1.70191109582E-06 -1.83456223722E-06 -1.97754652570E-06 -2.13166895235E-06 -2.29779691418E-06 -2.47686529686E-06 -2.66988214132E-06 -2.87793337835E-06 -3.10219005039E-06 -3.34391413850E-06 -3.60446574606E-06 -3.88531147702E-06 -4.18803114673E-06 -4.51432845209E-06 -4.86603937160E-06 -5.24514265675E-06 -5.65377174940E-06 -6.09422523589E-06 -6.56898146515E-06 -7.08071140136E-06 -7.63229372770E-06 -8.22683199346E-06 -8.86767014704E-06 -9.55841342927E-06 -1.03029473945E-05 -1.11054596614E-05 -1.19704647868E-05 -1.29028273586E-05 -1.39077914976E-05 -1.49910093898E-05 -1.61585724827E-05 -1.74170473358E-05 -1.87735101223E-05 -2.02355887267E-05 -2.18115040820E-05 -2.35101166982E-05 -2.53409770299E-05 -2.73143773582E-05 -2.94414117921E-05 -3.17340367894E-05 -3.42051387499E-05 -3.68686073103E-05 -3.97394103771E-05 -4.28336817779E-05 -4.61688089693E-05 -4.97635310535E-05 -5.36380453698E-05 -5.78141173014E-05 -6.23152057783E-05 -6.71665924667E-05 -7.23955232111E-05 -7.80313628486E-05 -8.41057548556E-05 -9.06528038430E-05 -9.77092617801E-05 -1.05314735440E-04 -1.13511908774E-04 -1.22346776410E-04 -1.31868907384E-04 -1.42131715738E-04 -1.53192761061E-04 -1.65114070784E-04 -1.77962480705E-04 -1.91810013553E-04 -2.06734274927E-04 -2.22818887109E-04 -2.40153955223E-04 -2.58836562585E-04 -2.78971317069E-04 -3.00670925635E-04 -3.24056820927E-04 -3.49259836857E-04 -3.76420925766E-04 -4.05691946190E-04 -4.37236496025E-04 -4.71230817488E-04 -5.07864770497E-04 -5.47342874378E-04 -5.89885437845E-04 -6.35729766874E-04 -6.85131467342E-04 -7.38365849750E-04 -7.95729428417E-04 -8.57541551819E-04 -9.24146139055E-04 -9.95913555251E-04 -1.07324263005E-03 -1.15656281500E-03 -1.24633652007E-03 -1.34306161048E-03 -1.44727409123E-03 -1.55955100369E-03 -1.68051351016E-03 -1.81083024040E-03 -1.95122085363E-03 -2.10245987937E-03 -2.26538083919E-03 -2.44088065055E-03 -2.62992438002E-03 -2.83355031399E-03 -3.05287540333E-03 -3.28910110936E-03 -3.54351963848E-03 -3.81752065564E-03 -4.11259843940E-03 -4.43035955458E-03 -4.77253106231E-03 -5.14096927836E-03 -5.53766916138E-03 -5.96477431779E-03 -6.42458768968E-03 -6.91958296908E-03 -7.45241674406E-03 -8.02594147019E-03 -8.64321926609E-03 -9.30753659092E-03 -1.00224198659E-02 -1.07916520403E-02 -1.16192902076E-02 -1.25096842507E-02 -1.34674966021E-02 -1.44977231578E-02 -1.56057153264E-02 -1.67972033599E-02 -1.80783208580E-02 -1.94556305836E-02 -2.09361515486E-02 -2.25273873634E-02 -2.42373559198E-02 -2.60746202893E-02 -2.80483208815E-02 -3.01682087848E-02 -3.24446801742E-02 -3.48888117767E-02 -3.75123971548E-02 -4.03279837133E-02 -4.33489102010E-02 -4.65893444101E-02 -5.00643208470E-02 -5.37897778848E-02 -5.77825940444E-02 -6.20606228249E-02 -6.66427254237E-02 -7.15488007283E-02 -7.67998115582E-02 -8.24178063066E-02 -8.84259347647E-02 -9.48484567861E-02 -1.01710742375E-01 -1.09039261331E-01 -1.16861560587E-01 -1.25206226971E-01 -1.34102832776E-01 -1.43581861454E-01 -1.53674610009E-01 -1.64413064648E-01 -1.75829745608E-01 -1.87957516586E-01 -2.00829354049E-01 -2.14478070644E-01 -2.28935986903E-01 -2.44234544606E-01 -2.60403854480E-01 -2.77472170849E-01 -2.95465284423E-01 -3.14405824754E-01 -3.34312462979E-01 -3.55199004609E-01 -3.77073363148E-01 -3.99936403395E-01 -4.23780645039E-01 -4.48588816616E-01 -4.74332250417E-01 -5.00969111448E-01 -5.28442453445E-01 -5.56678099251E-01 -5.85582345224E-01 -6.15039493619E-01 -6.44909223929E-01 -6.75023819361E-01 -7.05185275426E-01 -7.35162327639E-01 -7.64687448122E-01 -7.93453878472E-01 -8.21112782555E-01 -8.47270627029E-01 -8.71486921186E-01 -8.93272476210E-01 -9.12088377457E-01 -9.27345896168E-01 -9.38407607090E-01 -9.44590016819E-01 -9.45168047445E-01 -9.39381760531E-01 -9.26445738351E-01 -9.05561568807E-01 -8.75933894371E-01 -8.36790482672E-01 -7.87406752459E-01 -7.27135128698E-01 -6.55439506669E-01 -5.71934959618E-01 -4.76432624859E-01 -3.68989444672E-01 -2.49962110965E-01 -1.20064179143E-01 1.95751230718E-02 1.67352338474E-01 3.21133898686E-01 4.78205798612E-01 6.35232109250E-01 7.88225972240E-01 9.32537124151E-01 1.06286070947E+00 1.17327376912E+00 1.25730955593E+00 1.30808806237E+00 1.31853804213E+00 1.28177868328E+00 1.19179041629E+00 1.04461461539E+00 8.40517126186E-01 5.87866397150E-01 3.10183500754E-01 5.73211424148E-02 -6.31974060843E-02 -2.74697543425E-02 1.31431422380E-03 8.99401911253E-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 9 Number of nonzero Dij 1 1 1.15551872089E+01 1 2 1.58042457538E+00 2 2 -6.76403270560E-01 3 3 1.70304133788E+00 3 4 -3.32194506116E+00 4 4 -2.38879497300E-01 5 5 1.19783077942E+02 5 6 -1.60689936677E+02 6 6 2.15238497632E+02 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.35000000000E+00 2 1.35000000000E+00 3 1.35000000000E+00 4 1.35000000000E+00 5 1.35000000000E+00 1 1 0 i j (l(j)) 2.50976370682E-01 Q_int 0.00000000000E+00 3.47641146031E-17 1.42598968185E-16 3.29055650684E-16 6.00015548022E-16 9.61708433274E-16 1.42073151467E-15 1.98406949025E-15 2.65911566145E-15 3.45369416087E-15 4.37608335197E-15 5.43504046166E-15 6.63982750990E-15 8.00023860357E-15 9.52662866552E-15 1.12299436732E-14 1.31217524854E-14 1.52142803390E-14 1.75204441032E-14 2.00538893811E-14 2.28290295557E-14 2.58610868800E-14 2.91661357179E-14 3.27611480464E-14 3.66640413371E-14 4.08937289394E-14 4.54701730956E-14 5.04144407229E-14 5.57487621072E-14 6.14965926572E-14 6.76826778783E-14 7.43331217334E-14 8.14754585633E-14 8.91387287529E-14 9.73535583359E-14 1.06152242741E-13 1.15568834893E-13 1.25639237898E-13 1.36401302540E-13 1.47894929849E-13 1.60162178994E-13 1.73247380774E-13 1.87197257007E-13 2.02061046111E-13 2.17890635197E-13 2.34740699014E-13 2.52668846100E-13 2.71735772504E-13 2.92005423473E-13 3.13545163522E-13 3.36425955298E-13 3.60722547720E-13 3.86513673845E-13 4.13882258983E-13 4.42915639573E-13 4.73705793384E-13 5.06349581619E-13 5.40949003540E-13 5.77611464250E-13 6.16450056319E-13 6.57583855962E-13 7.01138234516E-13 7.47245186006E-13 7.96043671629E-13 8.47679982020E-13 9.02308118233E-13 9.60090192364E-13 1.02119684887E-12 1.08580770763E-12 1.15411182983E-12 1.22630820790E-12 1.30260628077E-12 1.38322647558E-12 1.46840077744E-12 1.55837332850E-12 1.65340105789E-12 1.75375434415E-12 1.85971771183E-12 1.97159056389E-12 2.08968795193E-12 2.21434138604E-12 2.34589968637E-12 2.48472987857E-12 2.63121813534E-12 2.78577076646E-12 2.94881525976E-12 3.12080137572E-12 3.30220229841E-12 3.49351584563E-12 3.69526574138E-12 3.90800295376E-12 4.13230710172E-12 4.36878793425E-12 4.61808688558E-12 4.88087871043E-12 5.15787320336E-12 5.44981700653E-12 5.75749551051E-12 6.08173485271E-12 6.42340401871E-12 6.78341705150E-12 7.16273537442E-12 7.56237023346E-12 7.98338526513E-12 8.42689919629E-12 8.89408868281E-12 9.38619129413E-12 9.90450865110E-12 1.04504097252E-11 1.10253343073E-11 1.16307966545E-11 1.22683893246E-11 1.29397872072E-11 1.36467517625E-11 1.43911354774E-11 1.51748865503E-11 1.60000538173E-11 1.68687919309E-11 1.77833668049E-11 1.87461613384E-11 1.97596814351E-11 2.08265623302E-11 2.19495752431E-11 2.31316343719E-11 2.43758042461E-11 2.56853074581E-11 2.70635327906E-11 2.85140437623E-11 3.00405876112E-11 3.16471047403E-11 3.33377386474E-11 3.51168463652E-11 3.69890094368E-11 3.89590454555E-11 4.10320201960E-11 4.32132603687E-11 4.55083670293E-11 4.79232296754E-11 5.04640410681E-11 5.31373128131E-11 5.59498917422E-11 5.89089771354E-11 6.20221388267E-11 6.52973362394E-11 6.87429383981E-11 7.23677449676E-11 7.61810083716E-11 8.01924570465E-11 8.44123198882E-11 8.88513519538E-11 9.35208614817E-11 9.84327382981E-11 1.03599483682E-10 1.09034241760E-10 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