Generated using ld1 code Author: P. Giannozzi Generation date: 1993 Info: K LDA 4s1 VonBarth-Car, local, core correction 1 The Pseudo was generated with a Scalar-Relativistic Calculation 0.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4S 0 0 1.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number K Element NC Norm - Conserving pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 1.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho -1 Max angular momentum component 177 Number of points in mesh 1 0 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4S 0 1.00 9.63980994144E-04 1.02615242677E-03 1.09233357230E-03 1.16278303500E-03 1.23777609768E-03 1.31760579737E-03 1.40258407033E-03 1.49304297104E-03 1.58933596960E-03 1.69183933299E-03 1.80095359535E-03 1.91710512302E-03 2.04074778062E-03 2.17236470452E-03 2.31247019071E-03 2.46161170442E-03 2.62037201936E-03 2.78937149491E-03 2.96927050020E-03 3.16077199449E-03 3.36462427404E-03 3.58162389605E-03 3.81261879128E-03 4.05851157728E-03 4.32026308547E-03 4.59889611555E-03 4.89549943214E-03 5.21123201915E-03 5.54732760852E-03 5.90509950107E-03 6.28594569825E-03 6.69135436484E-03 7.12290964403E-03 7.58229784744E-03 8.07131404447E-03 8.59186907652E-03 9.14599702371E-03 9.73586315302E-03 1.03637723792E-02 1.10321782711E-02 1.17436926394E-02 1.25010957419E-02 1.33073471476E-02 1.41655973015E-02 1.50791998347E-02 1.60517246690E-02 1.70869719662E-02 1.81889869777E-02 1.93620758511E-02 2.06108224567E-02 2.19401062989E-02 2.33551215832E-02 2.48613975127E-02 2.64648198932E-02 2.81716541326E-02 2.99885697227E-02 3.19226663007E-02 3.39815013909E-02 3.61731199364E-02 3.85060857340E-02 4.09895148985E-02 4.36331114832E-02 4.64472053992E-02 4.94427927797E-02 5.26315789474E-02 5.60260241536E-02 5.96393922667E-02 6.34858026011E-02 6.75802850888E-02 7.19388390091E-02 7.65784955062E-02 8.15173841386E-02 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7.96966520152E-02 8.48366444645E-02 9.03081379456E-02 9.61325124383E-02 1.02332526812E-01 1.08932407759E-01 1.15957944456E-01 1.23436589341E-01 1.31397565381E-01 1.39871980263E-01 1.48892947948E-01 1.58495718063E-01 1.68717813640E-01 1.79599177741E-01 1.91182329531E-01 2.03512530429E-01 2.16637960962E-01 2.30609909035E-01 2.45482970339E-01 2.61315261685E-01 2.78168648094E-01 2.96108984541E-01 3.15206373280E-01 3.35535437772E-01 3.57175614279E-01 3.80211462260E-01 4.04732994793E-01 4.30836030299E-01 4.58622566955E-01 4.88201181258E-01 5.19687452287E-01 5.53204413328E-01 5.88883032637E-01 6.26862725193E-01 6.67291897470E-01 7.10328527338E-01 7.56140781362E-01 8.04907671922E-01 8.56819756701E-01 9.12079883300E-01 9.70903981863E-01 1.03352190883E+00 1.10017834512E+00 1.17113375221E+00 1.24666538988E+00 1.32706839965E+00 1.41265695803E+00 1.50376550417E+00 1.60075004671E+00 1.70398955483E+00 1.81388743917E+00 1.93087312810E+00 2.05540374573E+00 2.18796589817E+00 2.32907757491E+00 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1.31952253039E-02 1.31952552801E-02 1.31952892411E-02 1.31953277158E-02 1.31953713027E-02 1.31954206795E-02 1.31954766133E-02 1.31955399721E-02 1.31956117382E-02 1.31956930229E-02 1.31957850830E-02 1.31958893397E-02 1.31960073998E-02 1.31961410788E-02 1.31962924279E-02 1.31964637632E-02 1.31966576988E-02 1.31968771835E-02 1.31971255417E-02 1.31974065183E-02 1.31977243289E-02 1.31980837140E-02 1.31984899991E-02 1.31989491590E-02 1.31994678880E-02 1.32000536735E-02 1.32007148745E-02 1.32014608021E-02 1.32023018008E-02 1.32032493279E-02 1.32043160278E-02 1.32055157948E-02 1.32068638177E-02 1.32083765971E-02 1.32100719218E-02 1.32119687866E-02 1.32140872308E-02 1.32164480653E-02 1.32190724522E-02 1.32219812867E-02 1.32251943169E-02 1.32287289217E-02 1.32325984428E-02 1.32368099395E-02 1.32413612034E-02 1.32462368269E-02 1.32514030704E-02 1.32568012156E-02 1.32623390215E-02 1.32678798205E-02 1.32732287055E-02 1.32781151622E-02 1.32821714043E-02 1.32849055837E-02 1.32856689803E-02 1.32836162605E-02 1.32776579548E-02 1.32664044926E-02 1.32481015220E-02 1.32205569010E-02 1.31810607993E-02 1.31263019173E-02 1.30522850444E-02 1.29542581777E-02 1.28266612786E-02 1.26631134331E-02 1.24564604560E-02 1.21989102865E-02 1.18822877808E-02 1.14984420114E-02 1.10398354476E-02 1.05003322231E-02 9.87617858385E-03 9.16712959579E-03 8.37762156252E-03 7.51782320485E-03 6.60433175424E-03 5.66023349169E-03 4.71425180011E-03 3.79879274312E-03 2.94689194889E-03 2.18836047053E-03 1.54576358328E-03 1.03112893169E-03 6.44318870728E-04 3.73699201145E-04 1.99101809629E-04 9.63102207900E-05 4.17409332638E-05 1.59676274277E-05 5.30090075996E-06 1.49818399920E-06 3.52748424139E-07 6.75124777692E-08 1.02151947136E-08 1.18407444874E-09 1.01460078336E-10 6.17241635050E-12 2.54677653905E-13 6.76698083794E-15 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 3.97604190256E+00 3.97604165848E+00 3.97604138190E+00 3.97604106849E+00 3.97604071335E+00 3.97604031093E+00 3.97603985493E+00 3.97603933821E+00 3.97603875269E+00 3.97603808920E+00 3.97603733738E+00 3.97603648545E+00 3.97603552009E+00 3.97603442620E+00 3.97603318665E+00 3.97603178206E+00 3.97603019045E+00 3.97602838693E+00 3.97602634326E+00 3.97602402749E+00 3.97602140337E+00 3.97601842986E+00 3.97601506043E+00 3.97601124237E+00 3.97600691595E+00 3.97600201347E+00 3.97599645824E+00 3.97599016334E+00 3.97598303030E+00 3.97597494751E+00 3.97596578852E+00 3.97595541004E+00 3.97594364971E+00 3.97593032353E+00 3.97591522302E+00 3.97589811195E+00 3.97587872262E+00 3.97585675169E+00 3.97583185547E+00 3.97580364446E+00 3.97577167736E+00 3.97573545407E+00 3.97569440795E+00 3.97564789692E+00 3.97559519342E+00 3.97553547305E+00 3.97546780167E+00 3.97539112080E+00 3.97530423109E+00 3.97520577355E+00 3.97509420836E+00 3.97496779075E+00 3.97482454381E+00 3.97466222759E+00 3.97447830413E+00 3.97426989785E+00 3.97403375070E+00 3.97376617132E+00 3.97346297751E+00 3.97311943107E+00 3.97273016396E+00 3.97228909481E+00 3.97178933428E+00 3.97122307803E+00 3.97058148548E+00 3.96985454272E+00 3.96903090735E+00 3.96809773290E+00 3.96704047042E+00 3.96584264399E+00 3.96448559708E+00 3.96294820593E+00 3.96120655584E+00 3.95923357569E+00 3.95699862558E+00 3.95446703180E+00 3.95159956272E+00 3.94835183871E+00 3.94467366808E+00 3.94050830089E+00 3.93579159106E+00 3.93045105714E+00 3.92440483085E+00 3.91756048233E+00 3.90981371015E+00 3.90104688442E+00 3.89112743104E+00 3.87990604595E+00 3.86721472957E+00 3.85286463402E+00 3.83664371909E+00 3.81831421867E+00 3.79760992689E+00 3.77423332430E+00 3.74785257916E+00 3.71809847936E+00 3.68456137732E+00 3.64678826584E+00 3.60428014915E+00 3.55648993318E+00 3.50282113481E+00 3.44262780513E+00 3.37521617898E+00 3.29984870487E+00 3.21575127562E+00 3.12212466875E+00 3.01816140783E+00 2.90306945396E+00 2.77610429941E+00 2.63661111222E+00 2.48407849245E+00 2.31820503801E+00 2.13897913223E+00 1.94677097600E+00 1.74243370264E+00 1.52740727383E+00 1.30381471913E+00 1.07453535980E+00 8.43234584512E-01 6.14325766912E-01 3.92839003900E-01 1.84176091468E-01 -6.25579564103E-03 -1.73516295007E-01 -3.13662820896E-01 -4.24258677780E-01 -5.04750711988E-01 -5.56606602877E-01 -5.83136470390E-01 -5.88996953194E-01 -5.79470945268E-01 -5.59696076528E-01 -5.34038125087E-01 -5.05750863195E-01 -4.76951677614E-01 -4.48829250639E-01 -4.21943373149E-01 -3.96495976672E-01 -3.72516142537E-01 -3.49961169435E-01 -3.28762666905E-01 -3.08845199117E-01 -2.90133508089E-01 -2.72555264431E-01 -2.56041984671E-01 -2.40529186127E-01 -2.25956259538E-01 -2.12266261842E-01 -1.99405699169E-01 -1.87324318599E-01 -1.75974911874E-01 -1.65313130942E-01 -1.55297314662E-01 -1.45888326013E-01 -1.37049399169E-01 -1.28745995830E-01 -1.20945670267E-01 -1.13617942540E-01 -1.06734179392E-01 -1.00267482369E-01 -9.41925827133E-02 -8.84857426210E-02 -8.31246624909E-02 -7.80883937860E-02 -7.33572571767E-02 -6.89127656439E-02 -6.47375522405E-02 -6.08153022293E-02 -5.71306893331E-02 -5.36693158471E-02 -5.04176563790E-02 -4.73630049989E-02 -4.44934255901E-02 -4.17977052086E-02 -3.92653102686E-02 -3.68863453818E-02 -3.46515146911E-02 0 Number of nonzero Dij 4S 0 1.00 Wavefunction 3.27781500000E-05 3.48921590000E-05 3.71425100000E-05 3.95379960000E-05 4.20879790000E-05 4.48024230000E-05 4.76919350000E-05 5.07678060000E-05 5.40420560000E-05 5.75274790000E-05 6.12376950000E-05 6.51872030000E-05 6.93914370000E-05 7.38668250000E-05 7.86308560000E-05 8.37021490000E-05 8.91005200000E-05 9.48470660000E-05 1.00964240000E-04 1.07475960000E-04 1.14407670000E-04 1.21786450000E-04 1.29641150000E-04 1.38002470000E-04 1.46903080000E-04 1.56377780000E-04 1.66463590000E-04 1.77199950000E-04 1.88628830000E-04 2.00794900000E-04 2.13745740000E-04 2.27531960000E-04 2.42207500000E-04 2.57829720000E-04 2.74459730000E-04 2.92162590000E-04 3.11007530000E-04 3.31068300000E-04 3.52423390000E-04 3.75156380000E-04 3.99356290000E-04 4.25117850000E-04 4.52541990000E-04 4.81736150000E-04 5.12814760000E-04 5.45899680000E-04 5.81120710000E-04 6.18616090000E-04 6.58533080000E-04 7.01028550000E-04 7.46269640000E-04 7.94434430000E-04 8.45712700000E-04 9.00306730000E-04 9.58432120000E-04 1.02031880000E-03 1.08621190000E-03 1.15637290000E-03 1.23108080000E-03 1.31063340000E-03 1.39534870000E-03 1.48556610000E-03 1.58164840000E-03 1.68398360000E-03 1.79298640000E-03 1.90910080000E-03 2.03280220000E-03 2.16460030000E-03 2.30504180000E-03 2.45471350000E-03 2.61424650000E-03 2.78431970000E-03 2.96566470000E-03 3.15907120000E-03 3.36539240000E-03 3.58555230000E-03 3.82055350000E-03 4.07148560000E-03 4.33953630000E-03 4.62600280000E-03 4.93230590000E-03 5.26000640000E-03 5.61082400000E-03 5.98665990000E-03 6.38962270000E-03 6.82205990000E-03 7.28659460000E-03 7.78616920000E-03 8.32409720000E-03 8.90412510000E-03 9.53050660000E-03 1.02080910000E-02 1.09424270000E-02 1.17398930000E-02 1.26078470000E-02 1.35548110000E-02 1.45906880000E-02 1.57270300000E-02 1.69773560000E-02 1.83575350000E-02 1.98862460000E-02 2.15855300000E-02 2.34814560000E-02 2.56049070000E-02 2.79925200000E-02 3.06877940000E-02 3.37423810000E-02 3.72175790000E-02 4.11860190000E-02 4.57335290000E-02 5.09611120000E-02 5.69869140000E-02 6.39479890000E-02 7.20015190000E-02 8.13250060000E-02 9.21147310000E-02 1.04581540000E-01 1.18942790000E-01 1.35409190000E-01 1.54165320000E-01 1.75343020000E-01 1.98988110000E-01 2.25022420000E-01 2.53205750000E-01 2.83104730000E-01 3.14077620000E-01 3.45283650000E-01 3.75722640000E-01 4.04303520000E-01 4.29932830000E-01 4.51606770000E-01 4.68488670000E-01 4.79957850000E-01 4.85625080000E-01 4.85320680000E-01 4.79068240000E-01 4.67058160000E-01 4.49630060000E-01 4.27265190000E-01 4.00582800000E-01 3.70332520000E-01 3.37376470000E-01 3.02658970000E-01 2.67165920000E-01 2.31874910000E-01 1.97704230000E-01 1.65463850000E-01 1.35813970000E-01 1.09235730000E-01 8.60170980000E-02 6.62553060000E-02 4.98748060000E-02 3.66576070000E-02 2.62815150000E-02 1.83610590000E-02 1.24862700000E-02 8.25547310000E-03 5.29985050000E-03 3.29885610000E-03 1.98780860000E-03 1.15680490000E-03 6.48868870000E-04 3.50400620000E-04 1.81830770000E-04 9.04336460000E-05 4.29872780000E-05 1.94715410000E-05 8.37764620000E-06 3.41212390000E-06 1.31069010000E-06 4.73035470000E-07 1.59530240000E-07 4.98740690000E-08 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.07440711742E-09 1.21746275968E-09 1.37956604910E-09 1.56325312770E-09 1.77139797630E-09 2.00725710667E-09 2.27452066404E-09 2.57737012605E-09 2.92054381671E-09 3.30941084010E-09 3.75005528891E-09 4.24937143496E-09 4.81517152892E-09 5.45630783558E-09 6.18281151529E-09 7.00604974722E-09 7.93890266427E-09 8.99596592881E-09 1.01937777588E-08 1.15510819779E-08 1.30891149548E-08 1.48319394036E-08 1.68068277733E-08 1.90446817261E-08 2.15805149135E-08 2.44540100777E-08 2.77101267957E-08 3.13998222800E-08 3.55808355072E-08 4.03185918660E-08 4.56872413681E-08 5.17707928214E-08 5.86644730562E-08 6.64761645153E-08 7.53281433917E-08 8.53589789955E-08 9.67256837167E-08 1.09606219265E-07 1.24202245819E-07 1.40742309455E-07 1.59485446363E-07 1.80725186389E-07 2.04794252713E-07 2.32069718217E-07 2.62978978074E-07 2.98006460624E-07 3.37701279591E-07 3.82685866807E-07 4.33665817454E-07 4.91441027915E-07 5.56918375586E-07 6.31126063569E-07 7.15229970941E-07 8.10552208083E-07 9.18592128648E-07 1.04105045363E-06 1.17985629170E-06 1.33719828385E-06 1.51555993613E-06 1.71775990920E-06 1.94699799459E-06 2.20690663747E-06 2.50161166122E-06 2.83580076507E-06 3.21480023058E-06 3.64466586456E-06 4.13228478432E-06 4.68549445876E-06 5.31321769975E-06 6.02561836708E-06 6.83428476276E-06 7.75243619181E-06 8.79516711283E-06 9.97973084667E-06 1.13258660060E-05 1.28561852960E-05 1.45966290464E-05 1.65769949910E-05 1.88315752990E-05 2.13999019056E-05 2.43276414912E-05 2.76676673280E-05 3.14813459590E-05 3.58400967583E-05 4.08272782484E-05 4.65405012792E-05 5.30944608647E-05 6.06244308110E-05 6.92905941950E-05 7.92834437965E-05 9.08305560526E-05 1.04205121864E-04 1.19736708650E-04 1.37825087651E-04 1.58957805975E-04 1.83732901246E-04 2.12888176313E-04 2.47339472621E-04 2.88230616751E-04 3.36999091276E-04 3.95462779973E-04 4.65935105381E-04 5.51378775880E-04 6.55611262479E-04 7.83581175950E-04 9.41740700586E-04 1.13854827555E-03 1.38514818662E-03 1.69628816107E-03 2.09155567479E-03 2.59703493628E-03 3.24750836724E-03 4.08934529714E-03 5.18421873831E-03 6.61375660090E-03 8.48512366720E-03 1.09372985088E-02 1.41473872930E-02 1.83356487365E-02 2.37669458907E-02 3.07451746627E-02 3.95962679214E-02 5.06350895027E-02 6.41131518331E-02 8.01482881484E-02 9.86447513849E-02 1.19220798957E-01 1.41167502209E-01 1.63461336284E-01 1.84842238312E-01 2.03948674710E-01 2.19481633918E-01 2.30359537777E-01 2.35831718325E-01 2.35536162436E-01 2.29506378577E-01 2.18143324823E-01 2.02167190856E-01 1.82555542586E-01 1.60466579656E-01 1.37146175370E-01 1.13822882510E-01 9.16024521215E-02 7.13776288094E-02 5.37659738875E-02 3.90869625599E-02 2.73782856568E-02 1.84454344472E-02 1.19324447086E-02 7.39894114834E-03 4.38976557315E-03 2.48749627354E-03 1.34378015097E-03 6.90718030695E-04 3.37128487601E-04 1.55906938513E-04 6.81528361048E-05 2.80884153224E-05 1.08824515685E-05 3.95138303023E-06 1.33819757666E-06 4.21030810455E-07 1.22780594496E-07 3.30624289188E-08 8.17824432885E-09 1.84790606985E-09 3.79140908915E-10 7.01849558524E-11 1.16425895090E-11 1.71790853824E-12 2.23762555878E-13 2.54498974745E-14 2.48742275862E-15 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00