Generated using ld1 code (trou) Author: P. Giannozzi Generation date: 2001 Info: Carbon BLYP 2s2 2p2 l=1 local Martins-Troullier 0 The Pseudo was generated with a Non-Relativistic Calculation 0.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 0 0 2.00 1.23000000000 0.00000000000 0.00000000000 2P 0 1 2.00 1.23000000000 0.00000000000 0.00000000000 0 Version Number C Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA LYP B88 BLYP BLYP Exchange-Correlation functional 4.00000000000 Z valence 0.00000000000 Total energy 50.000000 200.00000 Suggested cutoff for wfc and rho 0 Max angular momentum component 279 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 2.00 5.59104379838E-05 5.87770274380E-05 6.17905900765E-05 6.49586613755E-05 6.82891631633E-05 7.17904234293E-05 7.54711971478E-05 7.93406881704E-05 8.34085722401E-05 8.76850211860E-05 9.21807283580E-05 9.69069353656E-05 1.01875460188E-04 1.07098726726E-04 1.12589795866E-04 1.18362398140E-04 1.24430968063E-04 1.30810680218E-04 1.37517487211E-04 1.44568159551E-04 1.51980327592E-04 1.59772525616E-04 1.67964238175E-04 1.76575948818E-04 1.85629191307E-04 1.95146603465E-04 2.05151983779E-04 2.15670350911E-04 2.26728006258E-04 2.38352599718E-04 2.50573198830E-04 2.63420361456E-04 2.76926212196E-04 2.91124522710E-04 3.06050796171E-04 3.21742356038E-04 3.38238439383E-04 3.55580295006E-04 3.73811286581E-04 3.92977001082E-04 4.13125362778E-04 4.34306753068E-04 4.56574136461E-04 4.79983193015E-04 5.04592457563E-04 5.30463466085E-04 5.57660909579E-04 5.86252795819E-04 6.16310619414E-04 6.47909540579E-04 6.81128573077E-04 7.16050781792E-04 7.52763490435E-04 7.91358499902E-04 8.31932317818E-04 8.74586399864E-04 9.19427403460E-04 9.66567454474E-04 1.01612442759E-03 1.06822224104E-03 1.12299116651E-03 1.18056815484E-03 1.24109717849E-03 1.30472959154E-03 1.37162450817E-03 1.44194920052E-03 1.51587951695E-03 1.59360032176E-03 1.67530595744E-03 1.76120073064E-03 1.85149942304E-03 1.94642782840E-03 2.04622331718E-03 2.15113543008E-03 2.26142650203E-03 2.37737231817E-03 2.49926280341E-03 2.62740274748E-03 2.76211256696E-03 2.90372910658E-03 3.05260648146E-03 3.20911696256E-03 3.37365190763E-03 3.54662273973E-03 3.72846197603E-03 3.91962430933E-03 4.12058774506E-03 4.33185479646E-03 4.55395374122E-03 4.78743994237E-03 5.03289723705E-03 5.29093939634E-03 5.56221166005E-03 5.84739235014E-03 6.14719456687E-03 6.46236797195E-03 6.79370066306E-03 7.14202114451E-03 7.50820039893E-03 7.89315406519E-03 8.29784472798E-03 8.72328432474E-03 9.17053667607E-03 9.64072014581E-03 1.01350104375E-02 1.06546435345E-02 1.12009187900E-02 1.17752021767E-02 1.23789297024E-02 1.30136110002E-02 1.36808331040E-02 1.43822644166E-02 1.51196588816E-02 1.58948603693E-02 1.67098072871E-02 1.75665374270E-02 1.84671930604E-02 1.94140262956E-02 2.04094047088E-02 2.14558172646E-02 2.25558805394E-02 2.37123452644E-02 2.49281032038E-02 2.62061943856E-02 2.75498147036E-02 2.89623239084E-02 3.04472540088E-02 3.20083181035E-02 3.36494196658E-02 3.53746623045E-02 3.71883600247E-02 3.90950480156E-02 4.10994939903E-02 4.32067101076E-02 4.54219655057E-02 4.77507994767E-02 5.01990353187E-02 5.27727948965E-02 5.54785139497E-02 5.83229581852E-02 6.13132401952E-02 6.44568372424E-02 6.77616099568E-02 7.12358219915E-02 7.48881606862E-02 7.87277587902E-02 8.27642172986E-02 8.70076294602E-02 9.14686060157E-02 9.61583017301E-02 1.01088443285E-01 1.06271358604E-01 1.11720007673E-01 1.17448014953E-01 1.23469703447E-01 1.29800130512E-01 1.36455125513E-01 1.43451329404E-01 1.50806236339E-01 1.58538237417E-01 1.66666666667E-01 1.75211849396E-01 1.84195153013E-01 1.93639040455E-01 2.03567126360E-01 2.14004236115E-01 2.24976467929E-01 2.36511258099E-01 2.48637449607E-01 2.61385364248E-01 2.74786878450E-01 2.88875502978E-01 3.03686466732E-01 3.19256804836E-01 3.35625451245E-01 3.52833336102E-01 3.70923488082E-01 3.89941141988E-01 4.09933851859E-01 4.30951609886E-01 4.53046971410E-01 4.76275186344E-01 5.00694337324E-01 5.26365484948E-01 5.53352820456E-01 5.81723826244E-01 6.11549444603E-01 6.42904255116E-01 6.75866661141E-01 7.10519085861E-01 7.46948178390E-01 7.85245030432E-01 8.25505404066E-01 8.67829971197E-01 9.12324565288E-01 9.59100446001E-01 1.00827457740E+00 1.05996992043E+00 1.11431574038E+00 1.17144793010E+00 1.23150934982E+00 1.29465018438E+00 1.36102831876E+00 1.43080973286E+00 1.50416891657E+00 1.58128930606E+00 1.66236374247E+00 1.74759495412E+00 1.83719606344E+00 1.93139111987E+00 2.03041566012E+00 2.13451729711E+00 2.24395633917E+00 2.35900644090E+00 2.47995528748E+00 2.60710531403E+00 2.74077446185E+00 2.88129697343E+00 3.02902422824E+00 3.18432562137E+00 3.34758948720E+00 3.51922407042E+00 3.69965854691E+00 3.88934409682E+00 4.08875503285E+00 4.29838998620E+00 4.51877315344E+00 4.75045560729E+00 4.99401667457E+00 5.25006538479E+00 5.51924199312E+00 5.80221958127E+00 6.09970574061E+00 6.41244434151E+00 6.74121739334E+00 7.08684700001E+00 7.45019741555E+00 7.83217720526E+00 8.23374151759E+00 8.65589447247E+00 9.09969167219E+00 9.56624284091E+00 1.00567145996E+01 1.05723333830E+01 1.11143885068E+01 1.16842353911E+01 1.22832989499E+01 1.29130771542E+01 1.35751447775E+01 1.42711573337E+01 1.50028552168E+01 1.57720680525E+01 1.65807192737E+01 1.74308309295E+01 1.83245287420E+01 1.92640474212E+01 2.02517362531E+01 2.12900649743E+01 2.23816299475E+01 2.35291606536E+01 2.47355265171E+01 2.60037440811E+01 2.73369845500E+01 2.87385817195E+01 3.02120403125E+01 3.17610447431E+01 3.33894683291E+01 3.51013829778E+01 3.69010693674E+01 3.87930276513E+01 4.07819887107E+01 4.28729259843E+01 4.50710679044E+01 4.73819109707E+01 4.98112334945E+01 5.23651100476E+01 5.50499266516E+01 5.78723967465E+01 6.08395779776E+01 2.79552189919E-06 2.93885137190E-06 3.08952950383E-06 3.24793306877E-06 3.41445815816E-06 3.58952117146E-06 3.77355985739E-06 3.96703440852E-06 4.17042861201E-06 4.38425105930E-06 4.60903641790E-06 4.84534676828E-06 5.09377300941E-06 5.35493633630E-06 5.62948979328E-06 5.91811990702E-06 6.22154840314E-06 6.54053401092E-06 6.87587436055E-06 7.22840797756E-06 7.59901637962E-06 7.98862628078E-06 8.39821190874E-06 8.82879744090E-06 9.28145956537E-06 9.75733017326E-06 1.02575991889E-05 1.07835175455E-05 1.13364003129E-05 1.19176299859E-05 1.25286599415E-05 1.31710180728E-05 1.38463106098E-05 1.45562261355E-05 1.53025398086E-05 1.60871178019E-05 1.69119219691E-05 1.77790147503E-05 1.86905643290E-05 1.96488500541E-05 2.06562681389E-05 2.17153376534E-05 2.28287068231E-05 2.39991596507E-05 2.52296228781E-05 2.65231733042E-05 2.78830454789E-05 2.93126397909E-05 3.08155309707E-05 3.23954770290E-05 3.40564286539E-05 3.58025390896E-05 3.76381745218E-05 3.95679249951E-05 4.15966158909E-05 4.37293199932E-05 4.59713701730E-05 4.83283727237E-05 5.08062213793E-05 5.34111120521E-05 5.61495583257E-05 5.90284077421E-05 6.20548589244E-05 6.52364795769E-05 6.85812254085E-05 7.20974600260E-05 7.57939758475E-05 7.96800160879E-05 8.37652978719E-05 8.80600365321E-05 9.25749711520E-05 9.73213914200E-05 1.02311165859E-04 1.07556771504E-04 1.13071325102E-04 1.18868615908E-04 1.24963140171E-04 1.31370137374E-04 1.38105628348E-04 1.45186455329E-04 1.52630324073E-04 1.60455848128E-04 1.68682595382E-04 1.77331136986E-04 1.86423098801E-04 1.95981215467E-04 2.06029387253E-04 2.16592739823E-04 2.27697687061E-04 2.39371997119E-04 2.51644861853E-04 2.64546969817E-04 2.78110583003E-04 2.92369617507E-04 3.07359728344E-04 3.23118398598E-04 3.39685033153E-04 3.57101057225E-04 3.75410019946E-04 3.94657703260E-04 4.14892236399E-04 4.36164216237E-04 4.58526833803E-04 4.82036007290E-04 5.06750521877E-04 5.32732176723E-04 5.60045939498E-04 5.88760108837E-04 6.18946485119E-04 6.50680550010E-04 6.84041655199E-04 7.19113220828E-04 7.55982944078E-04 7.94743018463E-04 8.35490364357E-04 8.78326871349E-04 9.23359653019E-04 9.70701314779E-04 1.02047023544E-03 1.07279086323E-03 1.12779402697E-03 1.18561726322E-03 1.24640516019E-03 1.31030971928E-03 1.37749073518E-03 1.44811619542E-03 1.52236270044E-03 1.60041590517E-03 1.68247098329E-03 1.76873311522E-03 1.85941800124E-03 1.95475240078E-03 2.05497469951E-03 2.16033550538E-03 2.27109827528E-03 2.38753997383E-03 2.50995176594E-03 2.63863974483E-03 2.77392569748E-03 2.91614790926E-03 3.06566200976E-03 3.22284186212E-03 3.38808049784E-03 3.56179109957E-03 3.74440803431E-03 3.93638793951E-03 4.13821086493E-03 4.35038147301E-03 4.57343030078E-03 4.80791508650E-03 5.05442216427E-03 5.31356793018E-03 5.58600038363E-03 5.87240074766E-03 6.17348517235E-03 6.49000652560E-03 6.82275627565E-03 7.17256647021E-03 7.54031181697E-03 7.92691187084E-03 8.33333333333E-03 8.76059246980E-03 9.20975765063E-03 9.68195202274E-03 1.01783563180E-02 1.07002118057E-02 1.12488233965E-02 1.18255629049E-02 1.24318724803E-02 1.30692682124E-02 1.37393439225E-02 1.44437751489E-02 1.51843233366E-02 1.59628402418E-02 1.67812725623E-02 1.76416668051E-02 1.85461744041E-02 1.94970570994E-02 2.04966925930E-02 2.15475804943E-02 2.26523485705E-02 2.38137593172E-02 2.50347168662E-02 2.63182742474E-02 2.76676410228E-02 2.90861913122E-02 3.05774722302E-02 3.21452127558E-02 3.37933330570E-02 3.55259542931E-02 3.73474089195E-02 3.92622515216E-02 4.12752702033E-02 4.33914985598E-02 4.56162282644E-02 4.79550223000E-02 5.04137288701E-02 5.29984960217E-02 5.57157870190E-02 5.85723965049E-02 6.15754674911E-02 6.47325092192E-02 6.80514159381E-02 7.15404866431E-02 7.52084458286E-02 7.90644653030E-02 8.31181871235E-02 8.73797477061E-02 9.18598031720E-02 9.65695559935E-02 1.01520783006E-01 1.06725864856E-01 1.12197816958E-01 1.17950322045E-01 1.23997764374E-01 1.30355265702E-01 1.37038723092E-01 1.44064848671E-01 1.51451211412E-01 1.59216281069E-01 1.67379474360E-01 1.75961203521E-01 1.84982927345E-01 1.94467204841E-01 2.04437751643E-01 2.14919499310E-01 2.25938657672E-01 2.37522780365E-01 2.49700833728E-01 2.62503269240E-01 2.75962099656E-01 2.90110979063E-01 3.04985287031E-01 3.20622217075E-01 3.37060869667E-01 3.54342350001E-01 3.72509870778E-01 3.91608860263E-01 4.11687075879E-01 4.32794723624E-01 4.54984583610E-01 4.78312142045E-01 5.02835729978E-01 5.28616669151E-01 5.55719425341E-01 5.84211769556E-01 6.14164947497E-01 6.45653857711E-01 6.78757238875E-01 7.13557866685E-01 7.50142760838E-01 7.88603402624E-01 8.29035963683E-01 8.71541546476E-01 9.16226437101E-01 9.63202371060E-01 1.01258681266E+00 1.06450324872E+00 1.11908149737E+00 1.17645803268E+00 1.23677632585E+00 1.30018720405E+00 1.36684922750E+00 1.43692908597E+00 1.51060201563E+00 1.58805223716E+00 1.66947341646E+00 1.75506914889E+00 1.84505346837E+00 1.93965138256E+00 2.03909943554E+00 2.14364629921E+00 2.25355339522E+00 2.36909554853E+00 2.49056167473E+00 2.61825550238E+00 2.75249633258E+00 2.89361983732E+00 3.04197889888E+00 -2.88338730000E+01 -2.88338680000E+01 -2.88338630000E+01 -2.88338590000E+01 -2.88338550000E+01 -2.88338480000E+01 -2.88338410000E+01 -2.88338340000E+01 -2.88338270000E+01 -2.88338170000E+01 -2.88338070000E+01 -2.88337970000E+01 -2.88337850000E+01 -2.88337710000E+01 -2.88337570000E+01 -2.88337410000E+01 -2.88337230000E+01 -2.88337030000E+01 -2.88336810000E+01 -2.88336570000E+01 -2.88336310000E+01 -2.88336010000E+01 -2.88335680000E+01 -2.88335330000E+01 -2.88334930000E+01 -2.88334490000E+01 -2.88334000000E+01 -2.88333470000E+01 -2.88332870000E+01 -2.88332220000E+01 -2.88331500000E+01 -2.88330700000E+01 -2.88329810000E+01 -2.88328840000E+01 -2.88327760000E+01 -2.88326560000E+01 -2.88325250000E+01 -2.88323790000E+01 -2.88322180000E+01 -2.88320400000E+01 -2.88318440000E+01 -2.88316270000E+01 -2.88313870000E+01 -2.88311220000E+01 -2.88308300000E+01 -2.88305060000E+01 -2.88301490000E+01 -2.88297550000E+01 -2.88293190000E+01 -2.88288380000E+01 -2.88283060000E+01 -2.88277190000E+01 -2.88270710000E+01 -2.88263550000E+01 -2.88255650000E+01 -2.88246920000E+01 -2.88237290000E+01 -2.88226660000E+01 -2.88214930000E+01 -2.88201980000E+01 -2.88187700000E+01 -2.88171950000E+01 -2.88154580000E+01 -2.88135420000E+01 -2.88114310000E+01 -2.88091040000E+01 -2.88065410000E+01 -2.88037170000E+01 -2.88006090000E+01 -2.87971870000E+01 -2.87934230000E+01 -2.87892830000E+01 -2.87847330000E+01 -2.87797340000E+01 -2.87742450000E+01 -2.87682220000E+01 -2.87616160000E+01 -2.87543760000E+01 -2.87464480000E+01 -2.87377730000E+01 -2.87282870000E+01 -2.87179260000E+01 -2.87066180000E+01 -2.86942890000E+01 -2.86808620000E+01 -2.86662540000E+01 -2.86503800000E+01 -2.86331490000E+01 -2.86144710000E+01 -2.85942470000E+01 -2.85723800000E+01 -2.85487660000E+01 -2.85233010000E+01 -2.84958790000E+01 -2.84663890000E+01 -2.84347200000E+01 -2.84007610000E+01 -2.83643970000E+01 -2.83255150000E+01 -2.82840000000E+01 -2.82397400000E+01 -2.81926220000E+01 -2.81425360000E+01 -2.80893740000E+01 -2.80330350000E+01 -2.79734180000E+01 -2.79104330000E+01 -2.78439960000E+01 -2.77740320000E+01 -2.77004770000E+01 -2.76232820000E+01 -2.75424090000E+01 -2.74578390000E+01 -2.73695710000E+01 -2.72776250000E+01 -2.71820420000E+01 -2.70828900000E+01 -2.69802610000E+01 -2.68742740000E+01 -2.67650800000E+01 -2.66528560000E+01 -2.65378130000E+01 -2.64201910000E+01 -2.63002600000E+01 -2.61783220000E+01 -2.60547060000E+01 -2.59297660000E+01 -2.58038820000E+01 -2.56774540000E+01 -2.55508990000E+01 -2.54246460000E+01 -2.52991330000E+01 -2.51747990000E+01 -2.50520820000E+01 -2.49314110000E+01 -2.48132010000E+01 -2.46978470000E+01 -2.45857190000E+01 -2.44771560000E+01 -2.43724650000E+01 -2.42719100000E+01 -2.41757130000E+01 -2.40840510000E+01 -2.39970520000E+01 -2.39147900000E+01 -2.38372880000E+01 -2.37645170000E+01 -2.36963880000E+01 -2.36327600000E+01 -2.35734340000E+01 -2.35181540000E+01 -2.34666080000E+01 -2.34184250000E+01 -2.33731750000E+01 -2.33303720000E+01 -2.32894670000E+01 -2.32498510000E+01 -2.32108550000E+01 -2.31717400000E+01 -2.31317010000E+01 -2.30898590000E+01 -2.30452560000E+01 -2.29968430000E+01 -2.29434760000E+01 -2.28838980000E+01 -2.28167220000E+01 -2.27404190000E+01 -2.26532900000E+01 -2.25534490000E+01 -2.24387930000E+01 -2.23069840000E+01 -2.21554210000E+01 -2.19812280000E+01 -2.17812420000E+01 -2.15520100000E+01 -2.12898110000E+01 -2.09906910000E+01 -2.06505270000E+01 -2.02651190000E+01 -1.98303260000E+01 -1.93422340000E+01 -1.87973830000E+01 -1.81930470000E+01 -1.75275990000E+01 -1.68010150000E+01 -1.60155700000E+01 -1.51764860000E+01 -1.42919110000E+01 -1.33727930000E+01 -1.24343470000E+01 -1.14978810000E+01 -1.05905680000E+01 -9.74344030000E+00 -8.98818680000E+00 -8.35250750000E+00 -7.85370460000E+00 -7.49066960000E+00 -7.23568520000E+00 -7.03057720000E+00 -6.79844570000E+00 -6.49465320000E+00 -6.17855220000E+00 -5.87754960000E+00 -5.59106820000E+00 -5.31847410000E+00 -5.05913030000E+00 -4.81241250000E+00 -4.57771610000E+00 -4.35446120000E+00 -4.14209240000E+00 -3.94008010000E+00 -3.74791990000E+00 -3.56513150000E+00 -3.39125780000E+00 -3.22586410000E+00 -3.06853680000E+00 -2.91888250000E+00 -2.77652690000E+00 -2.64111410000E+00 -2.51230540000E+00 -2.38977880000E+00 -2.27322800000E+00 -2.16236130000E+00 -2.05690170000E+00 -1.95658550000E+00 -1.86116160000E+00 -1.77039170000E+00 -1.68404870000E+00 -1.60191670000E+00 -1.52379030000E+00 -1.44947410000E+00 -1.37878250000E+00 -1.31153840000E+00 -1.24757400000E+00 -1.18672910000E+00 -1.12885160000E+00 -1.07379690000E+00 -1.02142720000E+00 -9.71611580000E-01 -9.24225520000E-01 -8.79150510000E-01 -8.36273840000E-01 -7.95488280000E-01 -7.56691860000E-01 -7.19787560000E-01 -6.84683110000E-01 -6.51290720000E-01 -6.19526900000E-01 -5.89312210000E-01 -5.60571120000E-01 -5.33231740000E-01 -5.07225730000E-01 -4.82488040000E-01 -4.58956820000E-01 -4.36573230000E-01 -4.15281300000E-01 -3.95027790000E-01 -3.75762060000E-01 -3.57435930000E-01 -3.40003570000E-01 -3.23421400000E-01 -3.07647950000E-01 -2.92643790000E-01 -2.78371380000E-01 -2.64795050000E-01 -2.51880840000E-01 -2.39596470000E-01 -2.27911210000E-01 -2.16795850000E-01 -2.06222590000E-01 -1.96165000000E-01 -1.86597920000E-01 -1.77497430000E-01 -1.68840780000E-01 -1.60606320000E-01 -1.52773450000E-01 -1.45322600000E-01 -1.38235140000E-01 -1.31493330000E-01 1 0 Beta L 243 7.18630098270E-04 7.55475021294E-04 7.94209043978E-04 8.34929039481E-04 8.77736756055E-04 9.22739284196E-04 9.70049160695E-04 1.01978462481E-03 1.07207012339E-03 1.12703630730E-03 1.18482068876E-03 1.24556779253E-03 1.30942942564E-03 1.37656524796E-03 1.44714327621E-03 1.52133993504E-03 1.59934069386E-03 1.68134062095E-03 1.76754478332E-03 1.85816875281E-03 1.95343917241E-03 2.05359407776E-03 2.15888415184E-03 2.26957250185E-03 2.38593601450E-03 2.50826560325E-03 2.63686705260E-03 2.77206220766E-03 2.91418867729E-03 3.06360238125E-03 3.22067672976E-03 3.38580437989E-03 3.55939828718E-03 3.74189275381E-03 3.93374362244E-03 4.13543078310E-03 4.34745911301E-03 4.57035805071E-03 4.80468536452E-03 5.05102673441E-03 5.30999870939E-03 5.58224824052E-03 5.86845631648E-03 6.16933855768E-03 6.48564759329E-03 6.81817382126E-03 7.16774919862E-03 7.53524801189E-03 7.92158859349E-03 8.32773745517E-03 8.75470963621E-03 9.20357366578E-03 9.67545145334E-03 1.01715230121E-02 1.06930286951E-02 1.12412725055E-02 1.18176257164E-02 1.24235292074E-02 1.30604980902E-02 1.37301250582E-02 1.44340848765E-02 1.51741380322E-02 1.59521345703E-02 1.67700196280E-02 1.76298397729E-02 1.85337436927E-02 1.94839927701E-02 2.04829618432E-02 2.15331505013E-02 2.26371834730E-02 2.37978232191E-02 2.50179696628E-02 2.63006767103E-02 2.76491513319E-02 2.90667649826E-02 3.05570633288E-02 3.21237725338E-02 3.37708090751E-02 3.55022964648E-02 3.73225611972E-02 3.92361545284E-02 4.12478689175E-02 4.33627288222E-02 4.55860240332E-02 4.79233187903E-02 5.03804581117E-02 5.29635867036E-02 5.56791614407E-02 5.85339844264E-02 6.15351890957E-02 6.46902869277E-02 6.80071683011E-02 7.14941311259E-02 7.51599056977E-02 7.90136581366E-02 8.30650278930E-02 8.73241616979E-02 9.18017122294E-02 9.65088865582E-02 1.01457464978E-01 1.06659842400E-01 1.12129037061E-01 1.17878747029E-01 1.23923363348E-01 1.30278039461E-01 1.36958676567E-01 1.43982026911E-01 1.51365686854E-01 1.59128163001E-01 1.67288915770E-01 1.75868427110E-01 1.84888201911E-01 1.94370883470E-01 2.04340277358E-01 2.14821429693E-01 2.25840653182E-01 2.37425682610E-01 2.49605652455E-01 2.62411197721E-01 2.75874579117E-01 2.90029752752E-01 3.04912410806E-01 3.20560108818E-01 3.37012425397E-01 3.54310958489E-01 3.72499571494E-01 3.91624338631E-01 4.11733853362E-01 4.32879295249E-01 4.55114517326E-01 4.78496291775E-01 5.03084445322E-01 5.28942004723E-01 5.56135380412E-01 5.84734703256E-01 6.14813798582E-01 6.46450657432E-01 6.79727491766E-01 7.14731097426E-01 7.51553195174E-01 7.90290516439E-01 8.31045269543E-01 8.73925568307E-01 9.19045591141E-01 9.66525997796E-01 1.01649440458E+00 1.06908583109E+00 1.12444287934E+00 1.18271648913E+00 1.24406612257E+00 1.30866025219E+00 1.37667683954E+00 1.44830347038E+00 1.52373773152E+00 1.60318747407E+00 1.68687033414E+00 1.77501385150E+00 1.86785483968E+00 1.96563777904E+00 2.06861359557E+00 2.17703684181E+00 2.29116226779E+00 2.41123919571E+00 2.53750549418E+00 2.67017703135E+00 2.80943644804E+00 2.95541606784E+00 3.10817729182E+00 3.26768287047E+00 3.43376166109E+00 3.60606515930E+00 3.78400954471E+00 3.96670820040E+00 4.15288481962E+00 4.34076872014E+00 4.52797096512E+00 4.71133853219E+00 4.88678964942E+00 5.04913226913E+00 5.19188190544E+00 5.30709234816E+00 5.38523746080E+00 5.41519221133E+00 5.38438893184E+00 5.27925245444E+00 5.08604626859E+00 4.79227477560E+00 4.38878739568E+00 3.87264331138E+00 3.25063987151E+00 2.54308299489E+00 1.78688522064E+00 1.03650141930E+00 3.60665466631E-01 -1.67153654532E-01 -4.85705716650E-01 -5.68887270445E-01 -4.48716701848E-01 -2.25818100072E-01 -4.52974958936E-02 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 1 Number of nonzero Dij 1 1 1.11271734173E+00 2S 0 2.00 Wavefunction 3.42773550000E-05 3.60347920000E-05 3.78823350000E-05 3.98246040000E-05 4.18664550000E-05 4.40129950000E-05 4.62695890000E-05 4.86418820000E-05 5.11358040000E-05 5.37575930000E-05 5.65138040000E-05 5.94113290000E-05 6.24574130000E-05 6.56596730000E-05 6.90261160000E-05 7.25651610000E-05 7.62856560000E-05 8.01969060000E-05 8.43086890000E-05 8.86312880000E-05 9.31755120000E-05 9.79527220000E-05 1.02974870000E-04 1.08254500000E-04 1.13804830000E-04 1.19639730000E-04 1.25773790000E-04 1.32222350000E-04 1.39001530000E-04 1.46128290000E-04 1.53620450000E-04 1.61496740000E-04 1.69776860000E-04 1.78481510000E-04 1.87632450000E-04 1.97252570000E-04 2.07365930000E-04 2.17997810000E-04 2.29174800000E-04 2.40924840000E-04 2.53277330000E-04 2.66263140000E-04 2.79914750000E-04 2.94266290000E-04 3.09353650000E-04 3.25214560000E-04 3.41888670000E-04 3.59417690000E-04 3.77845440000E-04 3.97218000000E-04 4.17583810000E-04 4.38993810000E-04 4.61501520000E-04 4.85163240000E-04 5.10038110000E-04 5.36188360000E-04 5.63679360000E-04 5.92579860000E-04 6.22962120000E-04 6.54902130000E-04 6.88479740000E-04 7.23778930000E-04 7.60887950000E-04 7.99899610000E-04 8.40911460000E-04 8.84026050000E-04 9.29351190000E-04 9.77000230000E-04 1.02709230000E-03 1.07975270000E-03 1.13511310000E-03 1.19331190000E-03 1.25449470000E-03 1.31881450000E-03 1.38643210000E-03 1.45751660000E-03 1.53224580000E-03 1.61080650000E-03 1.69339530000E-03 1.78021860000E-03 1.87149360000E-03 1.96744870000E-03 2.06832370000E-03 2.17437090000E-03 2.28585560000E-03 2.40305670000E-03 2.52626720000E-03 2.65579530000E-03 2.79196510000E-03 2.93511720000E-03 3.08560960000E-03 3.24381890000E-03 3.41014080000E-03 3.58499150000E-03 3.76880850000E-03 3.96205160000E-03 4.16520450000E-03 4.37877560000E-03 4.60329930000E-03 4.83933770000E-03 5.08748170000E-03 5.34835240000E-03 5.62260320000E-03 5.91092070000E-03 6.21402710000E-03 6.53268170000E-03 6.86768300000E-03 7.21987040000E-03 7.59012670000E-03 7.97938040000E-03 8.38860770000E-03 8.81883520000E-03 9.27114270000E-03 9.74666580000E-03 1.02465990000E-02 1.07721980000E-02 1.13247850000E-02 1.19057500000E-02 1.25165550000E-02 1.31587380000E-02 1.38339200000E-02 1.45438030000E-02 1.52901790000E-02 1.60749370000E-02 1.69000610000E-02 1.77676440000E-02 1.86798860000E-02 1.96391060000E-02 2.06477470000E-02 2.17083800000E-02 2.28237170000E-02 2.39966150000E-02 2.52300870000E-02 2.65273070000E-02 2.78916290000E-02 2.93265860000E-02 3.08359130000E-02 3.24235510000E-02 3.40936660000E-02 3.58506610000E-02 3.76991930000E-02 3.96441900000E-02 4.16908740000E-02 4.38447750000E-02 4.61117620000E-02 4.84980630000E-02 5.10102940000E-02 5.36554950000E-02 5.64411590000E-02 5.93752740000E-02 6.24663650000E-02 6.57235430000E-02 6.91565580000E-02 7.27758640000E-02 7.65926830000E-02 8.06190820000E-02 8.48680680000E-02 8.93536770000E-02 9.40910960000E-02 9.90967840000E-02 1.04388620000E-01 1.09986070000E-01 1.15910370000E-01 1.22184750000E-01 1.28834640000E-01 1.35888010000E-01 1.43375600000E-01 1.51331340000E-01 1.59792680000E-01 1.68801050000E-01 1.78402340000E-01 1.88647350000E-01 1.99592390000E-01 2.11299780000E-01 2.23838390000E-01 2.37284080000E-01 2.51720030000E-01 2.67236840000E-01 2.83932200000E-01 3.01910030000E-01 3.21278750000E-01 3.42148270000E-01 3.64625320000E-01 3.88806490000E-01 4.14768260000E-01 4.42553380000E-01 4.72153020000E-01 5.03484380000E-01 5.36364390000E-01 5.70481220000E-01 6.05367570000E-01 6.40382200000E-01 6.74708710000E-01 7.07382760000E-01 7.37356930000E-01 7.63605990000E-01 7.85260230000E-01 8.01733520000E-01 8.12790600000E-01 8.18493850000E-01 8.19015570000E-01 8.14461120000E-01 8.04930060000E-01 7.90593420000E-01 7.71695110000E-01 7.48546930000E-01 7.21521900000E-01 6.91046200000E-01 6.57589740000E-01 6.21655890000E-01 5.83770430000E-01 5.44470270000E-01 5.04291950000E-01 4.63760540000E-01 4.23379060000E-01 3.83618780000E-01 3.44910660000E-01 3.07638190000E-01 2.72131820000E-01 2.38665150000E-01 2.07452950000E-01 1.78650930000E-01 1.52357220000E-01 1.28615310000E-01 1.07418110000E-01 8.87129440000E-02 7.24069830000E-02 5.83729830000E-02 4.64552040000E-02 3.64755600000E-02 2.82401910000E-02 2.15465120000E-02 1.61905000000E-02 1.19736250000E-02 8.70876410000E-03 6.22460860000E-03 4.36846900000E-03 3.00763050000E-03 2.02952150000E-03 1.34094670000E-03 8.66623680000E-04 5.47242160000E-04 3.37257860000E-04 2.02607180000E-04 1.18496510000E-04 6.73800430000E-05 3.71973440000E-05 1.99066140000E-05 1.03090410000E-05 5.15636110000E-06 2.48686030000E-06 1.15461830000E-06 5.15074690000E-07 2.20313520000E-07 9.01145620000E-08 3.51363310000E-08 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 2P 1 2.00 Wavefunction 8.63588920000E-09 9.54413360000E-09 1.05478990000E-08 1.16572310000E-08 1.28832330000E-08 1.42381740000E-08 1.57356160000E-08 1.73905450000E-08 1.92195250000E-08 2.12408600000E-08 2.34747800000E-08 2.59436450000E-08 2.86721620000E-08 3.16876390000E-08 3.50202570000E-08 3.87033700000E-08 4.27738380000E-08 4.72724020000E-08 5.22440840000E-08 5.77386420000E-08 6.38110680000E-08 7.05221360000E-08 7.79390130000E-08 8.61359300000E-08 9.51949250000E-08 1.05206660000E-07 1.16271340000E-07 1.28499710000E-07 1.42014140000E-07 1.56949890000E-07 1.73456450000E-07 1.91699030000E-07 2.11860190000E-07 2.34141710000E-07 2.58766610000E-07 2.85981330000E-07 3.16058240000E-07 3.49298370000E-07 3.86034390000E-07 4.26633970000E-07 4.71503440000E-07 5.21091870000E-07 5.75895570000E-07 6.36463010000E-07 7.03400380000E-07 7.77377610000E-07 8.59135080000E-07 9.49491050000E-07 1.04934980000E-06 1.15971080000E-06 1.28167860000E-06 1.41647380000E-06 1.56544550000E-06 1.73008470000E-06 1.91203900000E-06 2.11312970000E-06 2.33536920000E-06 2.58098170000E-06 2.85242540000E-06 3.15241710000E-06 3.48395890000E-06 3.85036920000E-06 4.25531500000E-06 4.70284910000E-06 5.19745050000E-06 5.74406930000E-06 6.34817590000E-06 7.01581660000E-06 7.75367290000E-06 8.56912950000E-06 9.47034750000E-06 1.04663460000E-05 1.15670940000E-05 1.27836060000E-05 1.41280580000E-05 1.56139050000E-05 1.72560160000E-05 1.90708260000E-05 2.10764960000E-05 2.32930990000E-05 2.57428170000E-05 2.84501650000E-05 3.14422380000E-05 3.47489760000E-05 3.84034720000E-05 4.24422950000E-05 4.69058620000E-05 5.18388380000E-05 5.72905850000E-05 6.33156540000E-05 6.99743340000E-05 7.73332500000E-05 8.54660330000E-05 9.44540530000E-05 1.04387240000E-04 1.15364960000E-04 1.27497050000E-04 1.40904880000E-04 1.55722560000E-04 1.72098310000E-04 1.90195940000E-04 2.10196450000E-04 2.32299850000E-04 2.56727190000E-04 2.83722730000E-04 3.13556380000E-04 3.46526380000E-04 3.82962320000E-04 4.23228370000E-04 4.67726920000E-04 5.16902600000E-04 5.71246670000E-04 6.31301950000E-04 6.97668150000E-04 7.71007860000E-04 8.52053080000E-04 9.41612530000E-04 1.04057960000E-03 1.14994110000E-03 1.27078710000E-03 1.40432180000E-03 1.55187500000E-03 1.71491530000E-03 1.89506470000E-03 2.09411420000E-03 2.31404120000E-03 2.55702880000E-03 2.82548720000E-03 3.12207630000E-03 3.44973180000E-03 3.81169310000E-03 4.21153430000E-03 4.65319740000E-03 5.14103040000E-03 5.67982680000E-03 6.27487100000E-03 6.93198630000E-03 7.65758790000E-03 8.45874120000E-03 9.34322410000E-03 1.03195960000E-02 1.13972700000E-02 1.25865950000E-02 1.38989430000E-02 1.53467970000E-02 1.69438550000E-02 1.87051350000E-02 2.06470840000E-02 2.27877000000E-02 2.51466550000E-02 2.77454220000E-02 3.06074090000E-02 3.37580880000E-02 3.72251330000E-02 4.10385450000E-02 4.52307730000E-02 4.98368200000E-02 5.48943340000E-02 6.04436610000E-02 6.65278740000E-02 7.31927390000E-02 8.04866210000E-02 8.84603130000E-02 9.71667500000E-02 1.06660600000E-01 1.16997720000E-01 1.28234360000E-01 1.40426240000E-01 1.53627280000E-01 1.67888070000E-01 1.83254030000E-01 1.99763120000E-01 2.17443250000E-01 2.36309220000E-01 2.56359340000E-01 2.77571670000E-01 2.99900100000E-01 3.23270340000E-01 3.47576200000E-01 3.72676360000E-01 3.98392230000E-01 4.24507390000E-01 4.50769220000E-01 4.76893410000E-01 5.02571850000E-01 5.27484410000E-01 5.51314390000E-01 5.73767280000E-01 5.94591300000E-01 6.13597620000E-01 6.30676930000E-01 6.45808520000E-01 6.59057470000E-01 6.70555980000E-01 6.80466390000E-01 6.88927240000E-01 6.95989930000E-01 7.01564040000E-01 7.05402000000E-01 7.07160090000E-01 7.06545310000E-01 7.03438580000E-01 6.97824620000E-01 6.89721760000E-01 6.79177550000E-01 6.66267880000E-01 6.51095510000E-01 6.33788250000E-01 6.14496640000E-01 5.93391300000E-01 5.70660030000E-01 5.46504690000E-01 5.21137910000E-01 4.94779730000E-01 4.67654210000E-01 4.39986100000E-01 4.11997630000E-01 3.83905540000E-01 3.55918450000E-01 3.28234680000E-01 3.01040580000E-01 2.74509460000E-01 2.48801030000E-01 2.24061340000E-01 2.00422860000E-01 1.78004430000E-01 1.56910660000E-01 1.37230280000E-01 1.19033370000E-01 1.02367850000E-01 8.72559850000E-02 7.36923830000E-02 6.16444070000E-02 5.10550270000E-02 4.18472650000E-02 3.39290000000E-02 2.71973800000E-02 2.15426410000E-02 1.68515020000E-02 1.30102550000E-02 9.90757650000E-03 7.43697910000E-03 5.49884280000E-03 4.00196600000E-03 2.86461430000E-03 2.01507890000E-03 1.39175550000E-03 9.42917980000E-04 6.25856450000E-04 4.06465360000E-04 2.58087880000E-04 1.60084750000E-04 9.68913670000E-05 5.71507180000E-05 3.28078520000E-05 1.83032930000E-05 9.90840370000E-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 2.34987428075E-09 2.59701265115E-09 2.87014283262E-09 3.17199843930E-09 3.50560044049E-09 3.87428786319E-09 4.28175022768E-09 4.73206597387E-09 5.22974164023E-09 5.77975851266E-09 6.38762118723E-09 7.05941337324E-09 7.80185852149E-09 8.62238732515E-09 9.52921183293E-09 1.05314081778E-08 1.16390062819E-08 1.28630919333E-08 1.42159155407E-08 1.57110170926E-08 1.73633602166E-08 1.91894814412E-08 2.12076598520E-08 2.34380883793E-08 2.59030967868E-08 2.86273521258E-08 3.16381195400E-08 3.49655327034E-08 3.86428910207E-08 4.27070035432E-08 4.71985454907E-08 5.21624675583E-08 5.76484541524E-08 6.37114084684E-08 7.04120065063E-08 7.78173163139E-08 8.60014576352E-08 9.50463343483E-08 1.05042475955E-07 1.16089921091E-07 1.28299256415E-07 1.41792662519E-07 1.56705197847E-07 1.73186109031E-07 1.91400351081E-07 2.11530228704E-07 2.33777201575E-07 2.58363954836E-07 2.85536555328E-07 3.15566968906E-07 3.48755762148E-07 3.85435143233E-07 4.25972207164E-07 4.70772725281E-07 5.20285059091E-07 5.75004845433E-07 6.35479749679E-07 7.02315103888E-07 7.76179878571E-07 8.57813475224E-07 9.48032980720E-07 1.04774152971E-06 1.15793716032E-06 1.27972300574E-06 1.41431819410E-06 1.56307010282E-06 1.72746786738E-06 1.90915734221E-06 2.10995742433E-06 2.33187864628E-06 2.57714287455E-06 2.84820567016E-06 3.14778149998E-06 3.47887021199E-06 3.84478713987E-06 4.24919686661E-06 4.69614992341E-06 5.19012255369E-06 5.73606372149E-06 6.33944166449E-06 7.00630197494E-06 7.74332759804E-06 8.55790308462E-06 9.45819260420E-06 1.04532213014E-05 1.15529657036E-05 1.27684522514E-05 1.41118718813E-05 1.55967026615E-05 1.72378436996E-05 1.90517660221E-05 2.10566829751E-05 2.32727294372E-05 2.57221712464E-05 2.84296284111E-05 3.14223239101E-05 3.47303680492E-05 3.83870598807E-05 4.24292279221E-05 4.68976144059E-05 5.18372890869E-05 5.72981118844E-05 6.33352599299E-05 7.00097847435E-05 7.73892627741E-05 8.55484955939E-05 9.45703006410E-05 1.04546377463E-04 1.15578291150E-04 1.27778560079E-04 1.41271854885E-04 1.56196354085E-04 1.72705258232E-04 1.90968470129E-04 2.11174488374E-04 2.33532488405E-04 2.58274778906E-04 2.85659377933E-04 3.15973027203E-04 3.49534571212E-04 3.86698924569E-04 4.27861043437E-04 4.73461016676E-04 5.23989739542E-04 5.79994752173E-04 6.42087919972E-04 7.10953074514E-04 7.87355724793E-04 8.72153633198E-04 9.66308823433E-04 1.07090212397E-03 1.18714910524E-03 1.31641907214E-03 1.46025642049E-03 1.62040680150E-03 1.79884530496E-03 1.99781192921E-03 2.21985062379E-03 2.46785672802E-03 2.74513146144E-03 3.05544642891E-03 3.40311912842E-03 3.79310269716E-03 4.23108982264E-03 4.72363754581E-03 5.27831267403E-03 5.90386433867E-03 6.61042844280E-03 7.40976740111E-03 8.31555484053E-03 9.34371039654E-03 1.05127951803E-02 1.18444760396E-02 1.33640738156E-02 1.51012025297E-02 1.70905184174E-02 1.93725951875E-02 2.19949349974E-02 2.50131410031E-02 2.84922612362E-02 3.25083220557E-02 3.71500635081E-02 4.25208816992E-02 4.87409808762E-02 5.59496961126E-02 6.43080354939E-02 7.40012275199E-02 8.52414066935E-02 9.82700834836E-02 1.13360397059E-01 1.30818868857E-01 1.50986253548E-01 1.74237378233E-01 2.00979288970E-01 2.31647472086E-01 2.66699533216E-01 3.06606086966E-01 3.51838482754E-01 4.02853418007E-01 4.60074671035E-01 5.23872808252E-01 5.94543925657E-01 6.72289027369E-01 7.57195622335E-01 8.49222347832E-01 9.48186593885E-01 1.05375206183E+00 1.16541082501E+00 1.28245114579E+00 1.40390172328E+00 1.52844656968E+00 1.65431601316E+00 1.77917718423E+00 1.90007138292E+00 2.01345950028E+00 2.11542969996E+00 2.20207122296E+00 2.26993747863E+00 2.31644108210E+00 2.34001515075E+00 2.33998555797E+00 2.31634550365E+00 2.26974320354E+00 2.20150812393E+00 2.11359097444E+00 2.00847078866E+00 1.88903843064E+00 1.75846479275E+00 1.62006077345E+00 1.47713856097E+00 1.33288156956E+00 1.19023050221E+00 1.05179018415E+00 9.19761639360E-01 7.95900577154E-01 6.81502273124E-01 5.77410821015E-01 4.84049439178E-01 4.01467341014E-01 3.29398117958E-01 2.67324314541E-01 2.14543196839E-01 1.70229350030E-01 1.33490764098E-01 1.03415946333E-01 7.91111270655E-02 5.97274528176E-02 4.44791097864E-02 3.26540583045E-02 2.36192863819E-02 1.68222306121E-02 1.17896389832E-02 8.12433040926E-03 5.49996695522E-03 3.65407232026E-03 2.37984558645E-03 1.51756200054E-03 9.46262444959E-04 5.76184154350E-04 3.42129746435E-04 1.97822217412E-04 1.11216264231E-04 6.07020300065E-05 3.21135630691E-05 1.64401130213E-05 8.13016608684E-06 3.87673402836E-06 1.77898118058E-06 7.83605144666E-07 3.30481353879E-07 1.33231076554E-07 5.12569206520E-08 1.87764046021E-08 6.53250621193E-09 2.15272654698E-09 6.70023538411E-10 1.96352927764E-10 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