Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: Matteo Calandra Generation date: 20Jun2008 Sih 0 The Pseudo was generated with a Non-Relativistic Calculation 0 2.2000000E+00 L component and cutoff radius for Local Potential nl pn l occ Rcut Rcut US E pseu 3P 2 1 1.00 2.20000000000 2.20000000000 -1.79801035535 3D 3 2 0.00 2.20000000000 2.20000000000 -0.89704377735 3S 1 0 2.00 2.20000000000 2.20000000000 -2.43709512193 0 Version Number Si Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 5.00000000000 Z valence -10.55061389831 Total energy 0.000 0.000 Suggested cutoff for wfc and rho 2 Max angular momentum component 1141 Number of points in mesh 36 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3P 1 1.00 3D 2 0.00 3S 0 2.00 6.51344261110E-05 6.59537163335E-05 6.67833119583E-05 6.76233426115E-05 6.84739395496E-05 6.93352356800E-05 7.02073655821E-05 7.10904655278E-05 7.19846735035E-05 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1.78071266350E-03 1.84868410138E-03 1.91924814042E-03 1.99250354395E-03 2.06855282954E-03 2.14750241115E-03 2.22946274667E-03 2.31454849100E-03 2.40287865490E-03 2.49457676976E-03 2.58977105862E-03 2.68859461359E-03 2.79118557992E-03 2.89768734697E-03 3.00824874637E-03 3.12302425758E-03 3.24217422114E-03 3.36586505998E-03 3.49426950886E-03 3.62756685258E-03 3.76594317292E-03 3.90959160491E-03 4.05871260264E-03 4.21351421497E-03 4.37421237152E-03 4.54103117935E-03 4.71420323064E-03 4.89396992182E-03 5.08058178462E-03 5.27429882934E-03 5.47539090093E-03 5.68413804822E-03 5.90083090687E-03 6.12577109650E-03 6.35927163247E-03 6.60165735294E-03 6.85326536169E-03 7.11444548719E-03 7.38556075874E-03 7.66698790000E-03 7.95911784077E-03 8.26235624752E-03 8.57712407341E-03 8.90385812848E-03 9.24301167068E-03 9.59505501861E-03 9.96047618649E-03 1.03397815425E-02 1.07334964907E-02 1.11421661786E-02 1.15663562292E-02 1.20066535008E-02 1.24636668734E-02 1.29380280642E-02 1.34303924722E-02 1.39414400535E-02 1.44718762272E-02 1.50224328157E-02 1.55938690166E-02 1.61869724108E-02 1.68025600060E-02 1.74414793178E-02 1.81046094887E-02 1.87928624472E-02 1.95071841081E-02 2.02485556145E-02 2.10179946245E-02 2.18165566425E-02 2.26453363973E-02 2.35054692683E-02 2.43981327622E-02 2.53245480395E-02 2.62859814957E-02 2.72837463958E-02 2.83192045656E-02 2.93937681414E-02 3.05089013788E-02 3.16661225242E-02 3.28670057482E-02 3.41131831467E-02 3.54063468073E-02 3.67482509459E-02 3.81407141152E-02 3.95856214855E-02 4.10849272020E-02 4.26406568187E-02 4.42549098129E-02 4.59298621812E-02 4.76677691194E-02 4.94709677890E-02 5.13418801719E-02 5.32830160164E-02 5.52969758752E-02 5.73864542395E-02 5.95542427703E-02 6.18032336289E-02 6.41364229106E-02 6.65569141809E-02 6.90679221193E-02 7.16727762708E-02 7.43749249084E-02 7.71779390079E-02 8.00855163374E-02 8.31014856626E-02 8.62298110717E-02 8.94745964183E-02 9.28400898872E-02 9.63306886826E-02 9.99509438399E-02 1.03705565163E-01 1.07599426288E-01 1.11637569873E-01 1.15825212915E-01 1.20167752192E-01 1.24670769837E-01 1.29340039033E-01 1.34181529836E-01 1.39201415121E-01 1.44406076652E-01 1.49802111267E-01 1.55396337185E-01 1.61195800427E-01 1.67207781339E-01 1.73439801228E-01 1.79899629092E-01 1.86595288443E-01 1.93535064216E-01 2.00727509751E-01 2.08181453850E-01 2.15906007881E-01 2.23910572931E-01 2.32204846995E-01 2.40798832171E-01 2.49702841862E-01 2.58927507967E-01 2.68483788016E-01 2.78382972267E-01 2.88636690706E-01 2.99256919944E-01 3.10255989973E-01 3.21646590762E-01 3.33441778635E-01 3.45654982429E-01 3.58300009356E-01 3.71391050557E-01 3.84942686274E-01 3.98969890614E-01 4.13488035827E-01 4.28512896063E-01 4.44060650523E-01 4.60147885944E-01 4.76791598354E-01 4.94009193995E-01 5.11818489360E-01 5.30237710222E-01 5.49285489578E-01 5.68980864398E-01 5.89343271073E-01 6.10392539427E-01 6.32148885192E-01 6.54632900791E-01 6.77865544298E-01 7.01868126413E-01 7.26662295307E-01 7.52270019152E-01 7.78713566161E-01 8.06015481952E-01 8.34198564030E-01 8.63285833174E-01 8.93300501521E-01 9.24265937091E-01 9.56205624528E-01 9.89143121793E-01 1.02310201254E+00 1.05810585391E+00 1.09417811941E+00 1.13134213667E+00 1.16962101966E+00 1.20903759506E+00 1.24961432261E+00 1.29137320886E+00 1.33433571411E+00 1.37852265225E+00 1.42395408295E+00 1.47064919609E+00 1.51862618776E+00 1.56790212787E+00 1.61849281856E+00 1.67041264348E+00 1.72367440730E+00 1.77828916533E+00 1.83426604278E+00 1.89161204355E+00 1.95033184814E+00 2.01042760058E+00 2.07189868417E+00 2.13474148586E+00 2.19894914931E+00 2.26451131646E+00 2.33141385792E+00 2.39963859209E+00 2.46916299344E+00 2.53995989020E+00 2.61199715208E+00 2.68523736841E+00 2.75963751770E+00 2.83514862938E+00 2.91171543888E+00 2.98927603732E+00 3.06776151727E+00 3.14709561639E+00 3.22719436077E+00 3.30796571031E+00 3.38930920846E+00 3.47111563934E+00 3.55326669493E+00 3.63563465614E+00 3.71808209104E+00 3.80046157465E+00 3.88261543440E+00 3.96437552614E+00 4.04556304574E+00 4.12598838157E+00 4.20545101390E+00 4.28373946689E+00 4.36063132000E+00 4.43589328501E+00 4.50928135594E+00 4.58054103876E+00 4.64940766810E+00 4.71560681849E+00 4.77885481733E+00 4.83885936688E+00 4.89532028258E+00 4.94793035437E+00 4.99637633772E+00 5.04034008023E+00 5.07949978935E+00 5.11353144562E+00 5.14211036530E+00 5.16491291483E+00 5.18161837833E+00 5.19191097813E+00 5.19548204641E+00 5.19203234419E+00 5.18127452229E+00 5.16293571617E+00 5.13676026466E+00 5.10251253995E+00 5.05997987345E+00 5.00897555976E+00 4.94934191789E+00 4.88095338618E+00 4.80371962449E+00 4.71758859451E+00 4.62254958617E+00 4.51863615573E+00 4.40592893854E+00 4.28455829736E+00 4.15470676545E+00 4.01661124158E+00 3.87056489361E+00 3.71691872594E+00 3.55608276634E+00 3.38852682756E+00 3.21478079998E+00 3.03543443292E+00 2.85113656375E+00 2.66259375642E+00 2.47056831364E+00 2.27587563011E+00 2.07938085776E+00 1.88199485773E+00 1.68466941795E+00 1.48839171933E+00 1.29417803819E+00 1.10306667657E+00 9.16110117199E-01 7.34366403956E-01 5.58889753803E-01 3.90720411265E-01 2.30873762085E-01 8.03287293864E-02 -5.99845164540E-02 -1.89197493163E-01 -3.06516933503E-01 -4.11238833945E-01 -5.02762934307E-01 -5.80607510556E-01 -6.44424328425E-01 -6.94013561674E-01 -7.29338423955E-01 -7.50539195369E-01 -7.57946241934E-01 -7.52091526477E-01 -7.33717991063E-01 -7.03786052626E-01 -6.63476293909E-01 -6.14187250848E-01 -5.57526995457E-01 -4.95296991447E-01 -4.29466460273E-01 -3.62135241131E-01 -2.95482862905E-01 -2.31701272696E-01 -1.72908386770E-01 -1.21039346047E-01 -7.77120667127E-02 -4.40633694256E-02 -2.05516345584E-02 -6.72154677238E-03 -9.26038360987E-04 -4.01713239859E-14 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 2.20 2.20 3D 2 Number of nonzero Dij 1 1 -2.61530285138E-01 2 2 -4.36351508576E-01 3P 1 1.00 Wavefunction 2.98263486338E-09 3.05814062433E-09 3.13555782271E-09 3.21493484680E-09 3.29632130981E-09 3.37976808094E-09 3.46532731713E-09 3.55305249569E-09 3.64299844772E-09 3.73522139235E-09 3.82977897193E-09 3.92673028803E-09 4.02613593838E-09 4.12805805474E-09 4.23256034174E-09 4.33970811673E-09 4.44956835055E-09 4.56220970942E-09 4.67770259785E-09 4.79611920266E-09 4.91753353809E-09 5.04202149203E-09 5.16966087352E-09 5.30053146132E-09 5.43471505382E-09 5.57229552011E-09 5.71335885247E-09 5.85799322008E-09 6.00628902412E-09 6.15833895429E-09 6.31423804675E-09 6.47408374350E-09 6.63797595332E-09 6.80601711415E-09 6.97831225720E-09 7.15496907253E-09 7.33609797641E-09 7.52181218030E-09 7.71222776161E-09 7.90746373628E-09 8.10764213314E-09 8.31288807022E-09 8.52332983289E-09 8.73909895411E-09 8.96033029660E-09 9.18716213715E-09 9.41973625303E-09 9.65819801065E-09 9.90269645634E-09 1.01533844096E-08 1.04104185586E-08 1.06739595579E-08 1.09441721294E-08 1.12212251646E-08 1.15052918308E-08 1.17965496787E-08 1.20951807541E-08 1.24013717111E-08 1.27153139290E-08 1.30372036319E-08 1.33672420113E-08 1.37056353520E-08 1.40525951608E-08 1.44083382988E-08 1.47730871172E-08 1.51470695958E-08 1.55305194857E-08 1.59236764557E-08 1.63267862416E-08 1.67401008002E-08 1.71638784666E-08 1.75983841154E-08 1.80438893270E-08 1.85006725566E-08 1.89690193084E-08 1.94492223146E-08 1.99415817175E-08 2.04464052578E-08 2.09640084667E-08 2.14947148629E-08 2.20388561553E-08 2.25967724498E-08 2.31688124623E-08 2.37553337364E-08 2.43567028669E-08 2.49732957291E-08 2.56054977136E-08 2.62537039672E-08 2.69183196399E-08 2.75997601380E-08 2.82984513841E-08 2.90148300828E-08 2.97493439942E-08 3.05024522133E-08 3.12746254572E-08 3.20663463594E-08 3.28781097711E-08 3.37104230708E-08 3.45638064813E-08 3.54387933952E-08 3.63359307075E-08 3.72557791583E-08 3.81989136828E-08 3.91659237707E-08 4.01574138346E-08 4.11740035882E-08 4.22163284329E-08 4.32850398558E-08 4.43808058362E-08 4.55043112634E-08 4.66562583648E-08 4.78373671447E-08 4.90483758345E-08 5.02900413539E-08 5.15631397843E-08 5.28684668534E-08 5.42068384332E-08 5.55790910492E-08 5.69860824039E-08 5.84286919126E-08 5.99078212530E-08 6.14243949290E-08 6.29793608484E-08 6.45736909154E-08 6.62083816378E-08 6.78844547506E-08 6.96029578538E-08 7.13649650676E-08 7.31715777036E-08 7.50239249534E-08 7.69231645940E-08 7.88704837118E-08 8.08670994445E-08 8.29142597416E-08 8.50132441446E-08 8.71653645869E-08 8.93719662135E-08 9.16344282219E-08 9.39541647243E-08 9.63326256310E-08 9.87712975573E-08 1.01271704752E-07 1.03835410051E-07 1.06464015852E-07 1.09159165121E-07 1.11922542411E-07 1.14755874924E-07 1.17660933583E-07 1.20639534146E-07 1.23693538332E-07 1.26824854995E-07 1.30035441308E-07 1.33327303991E-07 1.36702500565E-07 1.40163140637E-07 1.43711387219E-07 1.47349458080E-07 1.51079627131E-07 1.54904225849E-07 1.58825644732E-07 1.62846334793E-07 1.66968809094E-07 1.71195644312E-07 1.75529482359E-07 1.79973032021E-07 1.84529070661E-07 1.89200445950E-07 1.93990077648E-07 1.98900959429E-07 2.03936160754E-07 2.09098828784E-07 2.14392190354E-07 2.19819553986E-07 2.25384311956E-07 2.31089942418E-07 2.36940011574E-07 2.42938175905E-07 2.49088184457E-07 2.55393881184E-07 2.61859207348E-07 2.68488203987E-07 2.75285014435E-07 2.82253886919E-07 2.89399177206E-07 2.96725351333E-07 3.04236988394E-07 3.11938783403E-07 3.19835550228E-07 3.27932224601E-07 3.36233867205E-07 3.44745666831E-07 3.53472943626E-07 3.62421152418E-07 3.71595886123E-07 3.81002879244E-07 3.90648011451E-07 4.00537311260E-07 4.10676959799E-07 4.21073294672E-07 4.31732813920E-07 4.42662180083E-07 4.53868224361E-07 4.65357950890E-07 4.77138541115E-07 4.89217358278E-07 5.01601952025E-07 5.14300063119E-07 5.27319628284E-07 5.40668785161E-07 5.54355877395E-07 5.68389459854E-07 5.82778303970E-07 5.97531403226E-07 6.12657978775E-07 6.28167485206E-07 6.44069616449E-07 6.60374311837E-07 6.77091762320E-07 6.94232416829E-07 7.11806988814E-07 7.29826462934E-07 7.48302101926E-07 7.67245453644E-07 7.86668358278E-07 8.06582955750E-07 8.27001693307E-07 8.47937333297E-07 8.69402961150E-07 8.91411993553E-07 9.13978186835E-07 9.37115645571E-07 9.60838831390E-07 9.85162572020E-07 1.01010207055E-06 1.03567291495E-06 1.06189108777E-06 1.08877297620E-06 1.11633538223E-06 1.14459553321E-06 1.17357109263E-06 1.20328017108E-06 1.23374133765E-06 1.26497363150E-06 1.29699657378E-06 1.32983017979E-06 1.36349497154E-06 1.39801199056E-06 1.43340281102E-06 1.46968955325E-06 1.50689489758E-06 1.54504209846E-06 1.58415499904E-06 1.62425804606E-06 1.66537630513E-06 1.70753547640E-06 1.75076191059E-06 1.79508262552E-06 1.84052532296E-06 1.88711840594E-06 1.93489099650E-06 1.98387295395E-06 2.03409489342E-06 2.08558820512E-06 2.13838507387E-06 2.19251849926E-06 2.24802231624E-06 2.30493121632E-06 2.36328076920E-06 2.42310744503E-06 2.48444863721E-06 2.54734268574E-06 2.61182890120E-06 2.67794758930E-06 2.74574007609E-06 2.81524873380E-06 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