Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Info: Co 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 4S 1 0 1.00 2.20000000000 2.50000000000 0.00000000000 4S 1 0 0.00 2.20000000000 2.50000000000 0.00000000000 4P 2 1 0.00 2.40000000000 2.60000000000 0.00000000000 4P 2 1 0.00 2.40000000000 2.60000000000 0.00000000000 3D 3 2 8.00 1.50000000000 2.10000000000 0.00000000000 3D 3 2 0.00 1.50000000000 2.10000000000 0.00000000000 0 Version Number Co Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 9.00000000000 Z valence -56.56531786500 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 961 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4S 0 1.00 3D 2 8.00 3.37734061316E-05 3.42838258008E-05 3.48019594754E-05 3.53279237377E-05 3.58618369319E-05 3.64038191907E-05 3.69539924624E-05 3.75124805383E-05 3.80794090805E-05 3.86549056505E-05 3.92390997373E-05 3.98321227871E-05 4.04341082326E-05 4.10451915230E-05 4.16655101546E-05 4.22952037018E-05 4.29344138483E-05 4.35832844190E-05 4.42419614126E-05 4.49105930342E-05 4.55893297286E-05 4.62783242146E-05 4.69777315188E-05 4.76877090107E-05 4.84084164384E-05 4.91400159640E-05 4.98826722004E-05 5.06365522486E-05 5.14018257347E-05 5.21786648484E-05 5.29672443818E-05 5.37677417686E-05 5.45803371242E-05 5.54052132859E-05 5.62425558544E-05 5.70925532351E-05 5.79553966813E-05 5.88312803361E-05 5.97204012773E-05 6.06229595607E-05 6.15391582657E-05 6.24692035410E-05 6.34133046506E-05 6.43716740213E-05 6.53445272902E-05 6.63320833534E-05 6.73345644152E-05 6.83521960381E-05 6.93852071934E-05 7.04338303131E-05 7.14983013418E-05 7.25788597899E-05 7.36757487876E-05 7.47892151396E-05 7.59195093806E-05 7.70668858315E-05 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-6.85098335079E+01 -6.41502847785E+01 -5.94391391447E+01 -5.43817238762E+01 -4.89868986719E+01 -4.32674001813E+01 -3.72401840120E+01 -3.09267580208E+01 -2.43534993854E+01 -1.75519471051E+01 -1.05590598775E+01 -3.41742843606E+00 3.82457021220E+00 1.11126905629E+01 1.83868234874E+01 2.55811049904E+01 3.26241465837E+01 3.94394064575E+01 4.59457214385E+01 5.20580207447E+01 5.76882428381E+01 6.27464772126E+01 6.71423523027E+01 7.07866904451E+01 7.35934492068E+01 7.54819666790E+01 7.63795255612E+01 7.62242473317E+01 7.49683235104E+01 7.25815854139E+01 6.90554073247E+01 6.44069303161E+01 5.86835848295E+01 5.19697148615E+01 4.43948422903E+01 3.61305885145E+01 2.73929826871E+01 1.84464375839E+01 9.60749849696E+00 1.24822890698E+00 -6.20092891214E+00 -1.22489682331E+01 -1.63433127223E+01 -1.78672982426E+01 -1.61646451294E+01 -1.03176964679E+01 -1.32673442954E+00 1.35139790825E-01 -9.39247248318E-03 4.74879956808E-03 3.22141635384E-03 3.24554502769E-03 3.12011727380E-03 3.01294486377E-03 2.90722844849E-03 2.80440329366E-03 2.70411947263E-03 9 Number of nonzero Dij 1 1 3.50614841120E-01 1 2 -3.42116975952E-01 2 2 3.34218209477E-01 3 3 5.01297266503E-02 3 4 7.22770088426E-02 4 4 1.04180316422E-01 5 5 3.10522308912E+00 5 6 2.40376757036E+00 6 6 1.86031208576E+00 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 0 i j (l(j)) -1.05855064060E-01 Q_int 1.20286197568E-10 1.23949457615E-10 1.27724280538E-10 1.31614063932E-10 1.35622308862E-10 1.39752623021E-10 1.44008723970E-10 1.48394442487E-10 1.52913726013E-10 1.57570642209E-10 1.62369382613E-10 1.67314266416E-10 1.72409744346E-10 1.77660402677E-10 1.83070967355E-10 1.88646308253E-10 1.94391443554E-10 2.00311544268E-10 2.06411938883E-10 2.12698118166E-10 2.19175740102E-10 2.25850634987E-10 2.32728810678E-10 2.39816457994E-10 2.47119956298E-10 2.54645879228E-10 2.62401000623E-10 2.70392300616E-10 2.78626971913E-10 2.87112426274E-10 2.95856301180E-10 3.04866466707E-10 3.14151032612E-10 3.23718355627E-10 3.33577046990E-10 3.43735980185E-10 3.54204298937E-10 3.64991425438E-10 3.76107068828E-10 3.87561233934E-10 3.99364230275E-10 4.11526681344E-10 4.24059534165E-10 4.36974069148E-10 4.50281910245E-10 4.63995035407E-10 4.78125787371E-10 4.92686884763E-10 5.07691433551E-10 5.23152938837E-10 5.39085317018E-10 5.55502908303E-10 5.72420489631E-10 5.89853287960E-10 6.07816993982E-10 6.26327776239E-10 6.45402295679E-10 6.65057720653E-10 6.85311742362E-10 7.06182590787E-10 7.27689051094E-10 7.49850480540E-10 7.72686825902E-10 7.96218641423E-10 8.20467107316E-10 8.45454048828E-10 8.71201955884E-10 8.97734003327E-10 9.25074071779E-10 9.53246769136E-10 9.82277452715E-10 1.01219225208E-09 1.04301809255E-09 1.07478271945E-09 1.10751472307E-09 1.14124356441E-09 1.17599960168E-09 1.21181411765E-09 1.24871934777E-09 1.28674850922E-09 1.32593583080E-09 1.36631658371E-09 1.40792711332E-09 1.45080487191E-09 1.49498845231E-09 1.54051762270E-09 1.58743336237E-09 1.63577789862E-09 1.68559474476E-09 1.73692873927E-09 1.78982608618E-09 1.84433439661E-09 1.90050273169E-09 1.95838164665E-09 2.01802323638E-09 2.07948118227E-09 2.14281080056E-09 2.20806909212E-09 2.27531479374E-09 2.34460843104E-09 2.41601237288E-09 2.48959088755E-09 2.56541020059E-09 2.64353855441E-09 2.72404626971E-09 2.80700580876E-09 2.89249184064E-09 2.98058130843E-09 3.07135349848E-09 3.16489011174E-09 3.26127533735E-09 3.36059592838E-09 3.46294127989E-09 3.56840350945E-09 3.67707754001E-09 3.78906118533E-09 3.90445523807E-09 4.02336356045E-09 4.14589317776E-09 4.27215437468E-09 4.40226079457E-09 4.53632954171E-09 4.67448128675E-09 4.81684037527E-09 4.96353493974E-09 5.11469701482E-09 5.27046265624E-09 5.43097206319E-09 5.59636970456E-09 5.76680444897E-09 5.94242969871E-09 6.12340352790E-09 6.30988882465E-09 6.50205343779E-09 6.70007032784E-09 6.90411772274E-09 7.11437927827E-09 7.33104424332E-09 7.55430763023E-09 7.78437039033E-09 8.02143959479E-09 8.26572862100E-09 8.51745734463E-09 8.77685233752E-09 9.04414707159E-09 9.31958212902E-09 9.60340541874E-09 9.89587239960E-09 1.01972463103E-08 1.05077984061E-08 1.08278082035E-08 1.11575637312E-08 1.14973617898E-08 1.18475082185E-08 1.22083181709E-08 1.25801163982E-08 1.29632375417E-08 1.33580264339E-08 1.37648384091E-08 1.41840396228E-08 1.46160073816E-08 1.50611304828E-08 1.55198095639E-08 1.59924574639E-08 1.64794995940E-08 1.69813743215E-08 1.74985333633E-08 1.80314421934E-08 1.85805804610E-08 1.91464424229E-08 1.97295373881E-08 2.03303901758E-08 2.09495415884E-08 2.15875488980E-08 2.22449863476E-08 2.29224456685E-08 2.36205366126E-08 2.43398875009E-08 2.50811457897E-08 2.58449786528E-08 2.66320735819E-08 2.74431390058E-08 2.82789049277E-08 2.91401235822E-08 3.00275701124E-08 3.09420432676E-08 3.18843661221E-08 3.28553868159E-08 3.38559793182E-08 3.48870442139E-08 3.59495095141E-08 3.70443314913E-08 3.81724955401E-08 3.93350170642E-08 4.05329423898E-08 4.17673497079E-08 4.30393500440E-08 4.43500882586E-08 4.57007440773E-08 4.70925331525E-08 4.85267081575E-08 5.00045599139E-08 5.15274185534E-08 5.30966547145E-08 5.47136807767E-08 5.63799521310E-08 5.80969684898E-08 5.98662752371E-08 6.16894648184E-08 6.35681781747E-08 6.55041062186E-08 6.74989913566E-08 6.95546290565E-08 7.16728694639E-08 7.38556190668E-08 7.61048424115E-08 7.84225638702E-08 8.08108694635E-08 8.32719087368E-08 8.58078966953E-08 8.84211157971E-08 9.11139180072E-08 9.38887269140E-08 9.67480399106E-08 9.96944304415E-08 1.02730550319E-07 1.05859132110E-07 1.09082991592E-07 1.12405030293E-07 1.15828238095E-07 1.19355695931E-07 1.22990578553E-07 1.26736157390E-07 1.30595803492E-07 1.34572990567E-07 1.38671298097E-07 1.42894414571E-07 1.47246140794E-07 1.51730393312E-07 1.56351207936E-07 1.61112743371E-07 1.66019284961E-07 1.71075248540E-07 1.76285184411E-07 1.81653781437E-07 1.87185871258E-07 1.92886432643E-07 1.98760595964E-07 2.04813647817E-07 2.11051035775E-07 2.17478373288E-07 2.24101444737E-07 2.30926210638E-07 2.37958812998E-07 2.45205580848E-07 2.52673035934E-07 2.60367898582E-07 2.68297093747E-07 2.76467757239E-07 2.84887242147E-07 2.93563125448E-07 3.02503214824E-07 3.11715555690E-07 3.21208438425E-07 3.30990405830E-07 3.41070260816E-07 3.51457074315E-07 3.62160193448E-07 3.73189249920E-07 3.84554168694E-07 3.96265176910E-07 4.08332813084E-07 4.20767936588E-07 4.33581737414E-07 4.46785746237E-07 4.60391844783E-07 4.74412276515E-07 4.88859657644E-07 5.03746988467E-07 5.19087665063E-07 5.34895491335E-07 5.51184691418E-07 5.67969922475E-07 5.85266287864E-07 6.03089350725E-07 6.21455147967E-07 6.40380204682E-07 6.59881549003E-07 6.79976727409E-07 7.00683820495E-07 7.22021459225E-07 7.44008841671E-07 7.66665750275E-07 7.90012569621E-07 8.14070304752E-07 8.38860600051E-07 8.64405758683E-07 8.90728762637E-07 9.17853293374E-07 9.45803753102E-07 9.74605286696E-07 1.00428380429E-06 1.03486600454E-06 1.06637939862E-06 1.09885233491E-06 1.13231402449E-06 1.16679456732E-06 1.20232497930E-06 1.23893722013E-06 1.27666422198E-06 1.31553991905E-06 1.35559927807E-06 1.39687832962E-06 1.43941420055E-06 1.48324514723E-06 1.52841058990E-06 1.57495114808E-06 1.62290867695E-06 1.67232630495E-06 1.72324847241E-06 1.77572097149E-06 1.82979098718E-06 1.88550713963E-06 1.94291952776E-06 2.00207977416E-06 2.06304107136E-06 2.12585822953E-06 2.19058772558E-06 2.25728775376E-06 2.32601827781E-06 2.39684108471E-06 2.46981983994E-06 2.54502014458E-06 2.62250959401E-06 2.70235783841E-06 2.78463664516E-06 2.86941996301E-06 2.95678398830E-06 3.04680723309E-06 3.13957059542E-06 3.23515743164E-06 3.33365363096E-06 3.43514769223E-06 3.53973080300E-06 3.64749692106E-06 3.75854285837E-06 3.87296836751E-06 3.99087623075E-06 4.11237235186E-06 4.23756585058E-06 4.36656916003E-06 4.49949812699E-06 4.63647211520E-06 4.77761411182E-06 4.92305083702E-06 5.07291285693E-06 5.22733469991E-06 5.38645497635E-06 5.55041650210E-06 5.71936642551E-06 5.89345635839E-06 6.07284251078E-06 6.25768582985E-06 6.44815214290E-06 6.64441230468E-06 6.84664234904E-06 7.05502364524E-06 7.26974305879E-06 7.49099311717E-06 7.71897218049E-06 7.95388461719E-06 8.19594098505E-06 8.44535821749E-06 8.70235981551E-06 8.96717604526E-06 9.24004414152E-06 9.52120851722E-06 9.81092097912E-06 1.01094409500E-05 1.04170356971E-05 1.07339805681E-05 1.10605592328E-05 1.13970639333E-05 1.17437957407E-05 1.21010648193E-05 1.24691906995E-05 1.28485025574E-05 1.32393395038E-05 1.36420508810E-05 1.40569965683E-05 1.44845472969E-05 1.49250849735E-05 1.53790030137E-05 1.58467066847E-05 1.63286134586E-05 1.68251533754E-05 1.73367694165E-05 1.78639178898E-05 1.84070688249E-05 1.89667063804E-05 1.95433292627E-05 2.01374511570E-05 2.07496011704E-05 2.13803242876E-05 2.20301818407E-05 2.26997519905E-05 2.33896302238E-05 2.41004298623E-05 2.48327825885E-05 2.55873389845E-05 2.63647690868E-05 2.71657629568E-05 2.79910312671E-05 2.88413059043E-05 2.97173405883E-05 3.06199115096E-05 3.15498179832E-05 3.25078831215E-05 3.34949545253E-05 3.45119049940E-05 3.55596332546E-05 3.66390647118E-05 3.77511522170E-05 3.88968768591E-05 4.00772487765E-05 4.12933079901E-05 4.25461252596E-05 4.38368029618E-05 4.51664759922E-05 4.65363126904E-05 4.79475157898E-05 4.94013233920E-05 5.08990099658E-05 5.24418873727E-05 5.40313059176E-05 5.56686554275E-05 5.73553663555E-05 5.90929109141E-05 6.08828042354E-05 6.27266055605E-05 6.46259194572E-05 6.65823970680E-05 6.85977373870E-05 7.06736885676E-05 7.28120492609E-05 7.50146699845E-05 7.72834545232E-05 7.96203613614E-05 8.20274051469E-05 8.45066581876E-05 8.70602519803E-05 8.96903787716E-05 9.23992931532E-05 9.51893136880E-05 9.80628245708E-05 1.01022277321E-04 1.04070192508E-04 1.07209161512E-04 1.10441848310E-04 1.13770991306E-04 1.17199405178E-04 1.20729982772E-04 1.24365697015E-04 1.28109602862E-04 1.31964839273E-04 1.35934631221E-04 1.40022291720E-04 1.44231223885E-04 1.48564923016E-04 1.53026978703E-04 1.57621076955E-04 1.62351002346E-04 1.67220640180E-04 1.72233978671E-04 1.77395111137E-04 1.82708238199E-04 1.88177669989E-04 1.93807828366E-04 1.99603249120E-04 2.05568584184E-04 2.11708603825E-04 2.18028198828E-04 2.24532382662E-04 2.31226293611E-04 2.38115196887E-04 2.45204486691E-04 2.52499688242E-04 2.60006459743E-04 2.67730594291E-04 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