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 0.20000000000 4P 2 1 0.00 2.40000000000 2.60000000000 0.00000000000 4P 2 1 0.00 2.40000000000 2.60000000000 0.10000000000 3D 3 2 8.00 1.50000000000 2.10000000000 0.00000000000 3D 3 2 0.00 1.50000000000 2.10000000000 -0.43000000000 0 Version Number Co Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 9.00000000000 Z valence -56.75039102700 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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-4.78704066209E+01 -4.95589973441E+01 -5.12885212435E+01 -5.30583668743E+01 -5.48677412850E+01 -5.67156541616E+01 -5.86009012217E+01 -6.05220466343E+01 -6.24774047444E+01 -6.44650208702E+01 -6.64826513817E+01 -6.85277429764E+01 -7.05974113025E+01 -7.26884188734E+01 -7.47971524675E+01 -7.69196000782E+01 -7.90513274410E+01 -8.11874544720E+01 -8.33226315455E+01 -8.54510160716E+01 -8.75662493022E+01 -8.96614339426E+01 -9.17291125631E+01 -9.37612474243E+01 -9.57492018574E+01 -9.76837237863E+01 -9.95549318446E+01 -1.01352304466E+02 -1.03064672834E+02 -1.04680217961E+02 -1.06186472935E+02 -1.07570330847E+02 -1.08818059408E+02 -1.09915323005E+02 -1.10847213184E+02 -1.11598288675E+02 -1.12152625734E+02 -1.12493880367E+02 -1.12605363058E+02 -1.12470127597E+02 -1.12071075033E+02 -1.11391073853E+02 -1.10413097883E+02 -1.09120382612E+02 -1.07496601409E+02 -1.05526062291E+02 -1.03193926248E+02 -1.00486447606E+02 -9.73912369760E+01 -9.38975466075E+01 -8.99965781446E+01 -8.56818119931E+01 -8.09493568581E+01 -7.57983179824E+01 -7.02311813390E+01 -6.42542105392E+01 -5.78778523177E+01 -5.11171454109E+01 -4.39921265754E+01 -3.65282262886E+01 -2.87566453524E+01 -2.07147022731E+01 -1.24461397564E+01 -4.00137704772E+00 4.56230658612E+00 1.31806738348E+01 2.17825348396E+01 3.02898759429E+01 3.86181329396E+01 4.66766315353E+01 5.43692188236E+01 6.15951106959E+01 6.82499804645E+01 7.42273146436E+01 7.94200609532E+01 8.37225932610E+01 8.70330164071E+01 8.92558314262E+01 9.03049784792E+01 9.01072708110E+01 8.86062270576E+01 8.57663033841E+01 8.15775183712E+01 7.60604545605E+01 6.92716094236E+01 6.13111209633E+01 5.23323304814E+01 4.25385899042E+01 3.21861142571E+01 2.15886823817E+01 1.11220506151E+01 1.22791611606E+00 -7.58276355234E+00 -1.47272736676E+01 -1.95500700441E+01 -2.13199289143E+01 -1.92592130431E+01 -1.22803610001E+01 -1.57754261044E+00 1.60778681874E-01 -1.10810087366E-02 5.73672776150E-03 3.92145233682E-03 3.94978894857E-03 3.79915156713E-03 3.66927484990E-03 3.54038421001E-03 3.41436289552E-03 3.29098417763E-03 9 Number of nonzero Dij 1 1 3.59232788758E-01 1 2 -3.48562586912E-01 2 2 3.38692893821E-01 3 3 5.75224584153E-02 3 4 7.82264621515E-02 4 4 1.06350663693E-01 5 5 3.09488048272E+00 5 6 2.43706350572E+00 6 6 1.91874541848E+00 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 0 i j (l(j)) -1.11220639520E-01 Q_int 1.11421383516E-10 1.14814669784E-10 1.18311297001E-10 1.21914412367E-10 1.25627258931E-10 1.29453178502E-10 1.33395614669E-10 1.37458115888E-10 1.41644338685E-10 1.45958050942E-10 1.50403135292E-10 1.54983592610E-10 1.59703545616E-10 1.64567242586E-10 1.69579061176E-10 1.74743512360E-10 1.80065244493E-10 1.85549047491E-10 1.91199857147E-10 1.97022759571E-10 2.03022995768E-10 2.09205966353E-10 2.15577236418E-10 2.22142540535E-10 2.28907787920E-10 2.35879067751E-10 2.43062654650E-10 2.50465014329E-10 2.58092809411E-10 2.65952905424E-10 2.74052376986E-10 2.82398514164E-10 2.90998829046E-10 2.99861062494E-10 3.08993191114E-10 3.18403434438E-10 3.28100262317E-10 3.38092402551E-10 3.48388848737E-10 3.58998868370E-10 3.69932011182E-10 3.81198117738E-10 3.92807328291E-10 4.04770091912E-10 4.17097175893E-10 4.29799675440E-10 4.42889023655E-10 4.56377001834E-10 4.70275750063E-10 4.84597778151E-10 4.99355976885E-10 5.14563629638E-10 5.30234424318E-10 5.46382465693E-10 5.63022288088E-10 5.80168868459E-10 5.97837639882E-10 6.16044505437E-10 6.34805852526E-10 6.54138567621E-10 6.74060051465E-10 6.94588234730E-10 7.15741594159E-10 7.37539169196E-10 7.60000579119E-10 7.83146040706E-10 8.06996386424E-10 8.31573083184E-10 8.56898251660E-10 8.82994686202E-10 9.09885875350E-10 9.37596022977E-10 9.66150070070E-10 9.95573717186E-10 1.02589344758E-09 1.05713655103E-09 1.08933114843E-09 1.12250621706E-09 1.15669161672E-09 1.19191811654E-09 1.22821742273E-09 1.26562220708E-09 1.30416613642E-09 1.34388390284E-09 1.38481125499E-09 1.42698503022E-09 1.47044318773E-09 1.51522484278E-09 1.56137030183E-09 1.60892109887E-09 1.65792003279E-09 1.70841120590E-09 1.76044006360E-09 1.81405343534E-09 1.86929957671E-09 1.92622821292E-09 1.98489058352E-09 2.04533948854E-09 2.10762933601E-09 2.17181619092E-09 2.23795782570E-09 2.30611377221E-09 2.37634537530E-09 2.44871584809E-09 2.52329032877E-09 2.60013593932E-09 2.67932184586E-09 2.76091932094E-09 2.84500180766E-09 2.93164498582E-09 3.02092683999E-09 3.11292772970E-09 3.20773046183E-09 3.30542036505E-09 3.40608536670E-09 3.50981607190E-09 3.61670584508E-09 3.72685089404E-09 3.84035035653E-09 3.95730638950E-09 4.07782426102E-09 4.20201244504E-09 4.32998271902E-09 4.46185026455E-09 4.59773377100E-09 4.73775554236E-09 4.88204160732E-09 5.03072183268E-09 5.18393004028E-09 5.34180412741E-09 5.50448619096E-09 5.67212265527E-09 5.84486440395E-09 6.02286691570E-09 6.20629040420E-09 6.39529996236E-09 6.59006571088E-09 6.79076295138E-09 6.99757232418E-09 7.21067997089E-09 7.43027770194E-09 7.65656316922E-09 7.88974004398E-09 8.13001820016E-09 8.37761390324E-09 8.63275000494E-09 8.89565614378E-09 9.16656895176E-09 9.44573226733E-09 9.73339735489E-09 1.00298231309E-08 1.03352763970E-08 1.06500320799E-08 1.09743734793E-08 1.13085925223E-08 1.16529900266E-08 1.20078759710E-08 1.23735697745E-08 1.27504005837E-08 1.31387075692E-08 1.35388402307E-08 1.39511587116E-08 1.43760341233E-08 1.48138488790E-08 1.52649970380E-08 1.57298846604E-08 1.62089301723E-08 1.67025647430E-08 1.72112326723E-08 1.77353917909E-08 1.82755138724E-08 1.88320850577E-08 1.94056062927E-08 1.99965937792E-08 2.06055794395E-08 2.12331113948E-08 2.18797544590E-08 2.25460906469E-08 2.32327196978E-08 2.39402596155E-08 2.46693472245E-08 2.54206387430E-08 2.61948103737E-08 2.69925589124E-08 2.78146023747E-08 2.86616806429E-08 2.95345561314E-08 3.04340144730E-08 3.13608652260E-08 3.23159426028E-08 3.33001062207E-08 3.43142418755E-08 3.53592623390E-08 3.64361081798E-08 3.75457486106E-08 3.86891823599E-08 3.98674385713E-08 4.10815777293E-08 4.23326926139E-08 4.36219092841E-08 4.49503880914E-08 4.63193247238E-08 4.77299512821E-08 4.91835373888E-08 5.06813913307E-08 5.22248612359E-08 5.38153362878E-08 5.54542479746E-08 5.71430713779E-08 5.88833265004E-08 6.06765796332E-08 6.25244447659E-08 6.44285850391E-08 6.63907142406E-08 6.84125983483E-08 7.04960571190E-08 7.26429657263E-08 7.48552564479E-08 7.71349204045E-08 7.94840093520E-08 8.19046375272E-08 8.43989835509E-08 8.69692923882E-08 8.96178773690E-08 9.23471222691E-08 9.51594834560E-08 9.80574920989E-08 1.01043756446E-07 1.04120964174E-07 1.07291884801E-07 1.10559372185E-07 1.13926367089E-07 1.17395899827E-07 1.20971092990E-07 1.24655164258E-07 1.28451429295E-07 1.32363304728E-07 1.36394311228E-07 1.40548076673E-07 1.44828339416E-07 1.49238951643E-07 1.53783882845E-07 1.58467223386E-07 1.63293188185E-07 1.68266120507E-07 1.73390495870E-07 1.78670926075E-07 1.84112163351E-07 1.89719104634E-07 1.95496795970E-07 2.01450437056E-07 2.07585385917E-07 2.13907163729E-07 2.20421459782E-07 2.27134136599E-07 2.34051235213E-07 2.41178980598E-07 2.48523787269E-07 2.56092265055E-07 2.63891225040E-07 2.71927685694E-07 2.80208879185E-07 2.88742257881E-07 2.97535501058E-07 3.06596521803E-07 3.15933474133E-07 3.25554760330E-07 3.35469038494E-07 3.45685230334E-07 3.56212529189E-07 3.67060408296E-07 3.78238629310E-07 3.89757251081E-07 4.01626638703E-07 4.13857472829E-07 4.26460759278E-07 4.39447838931E-07 4.52830397930E-07 4.66620478179E-07 4.80830488178E-07 4.95473214173E-07 5.10561831656E-07 5.26109917204E-07 5.42131460690E-07 5.58640877852E-07 5.75653023259E-07 5.93183203655E-07 6.11247191723E-07 6.29861240258E-07 6.49042096774E-07 6.68807018558E-07 6.89173788172E-07 7.10160729439E-07 7.31786723907E-07 7.54071227810E-07 7.77034289553E-07 8.00696567725E-07 8.25079349652E-07 8.50204570528E-07 8.76094833112E-07 9.02773428034E-07 9.30264354712E-07 9.58592342906E-07 9.87782874927E-07 1.01786220852E-06 1.04885740044E-06 1.08079633074E-06 1.11370772781E-06 1.14762119417E-06 1.18256723302E-06 1.21857727566E-06 1.25568370964E-06 1.29391990789E-06 1.33332025860E-06 1.37392019614E-06 1.41575623282E-06 1.45886599161E-06 1.50328823997E-06 1.54906292452E-06 1.59623120695E-06 1.64483550088E-06 1.69491950991E-06 1.74652826678E-06 1.79970817375E-06 1.85450704419E-06 1.91097414541E-06 1.96916024284E-06 2.02911764546E-06 2.09090025271E-06 2.15456360272E-06 2.22016492207E-06 2.28776317703E-06 2.35741912633E-06 2.42919537556E-06 2.50315643319E-06 2.57936876829E-06 2.65790086999E-06 2.73882330876E-06 2.82220879949E-06 2.90813226652E-06 2.99667091060E-06 3.08790427791E-06 3.18191433113E-06 3.27878552263E-06 3.37860486995E-06 3.48146203345E-06 3.58744939635E-06 3.69666214723E-06 3.80919836490E-06 3.92515910592E-06 4.04464849471E-06 4.16777381636E-06 4.29464561228E-06 4.42537777866E-06 4.56008766790E-06 4.69889619316E-06 4.84192793592E-06 4.98931125687E-06 5.14117841008E-06 5.29766566056E-06 5.45891340545E-06 5.62506629867E-06 5.79627337946E-06 5.97268820467E-06 6.15446898501E-06 6.34177872538E-06 6.53478536945E-06 6.73366194840E-06 6.93858673424E-06 7.14974339764E-06 7.36732117043E-06 7.59151501297E-06 7.82252578649E-06 8.06056043053E-06 8.30583214565E-06 8.55856058156E-06 8.81897203084E-06 9.08729962833E-06 9.36378355651E-06 9.64867125687E-06 9.94221764751E-06 1.02446853473E-05 1.05563449063E-05 1.08774750434E-05 1.12083628908E-05 1.15493042453E-05 1.19006038274E-05 1.22625755480E-05 1.26355427822E-05 1.30198386526E-05 1.34158063187E-05 1.38237992770E-05 1.42441816680E-05 1.46773285933E-05 1.51236264413E-05 1.55834732223E-05 1.60572789140E-05 1.65454658158E-05 1.70484689145E-05 1.75667362594E-05 1.81007293494E-05 1.86509235300E-05 1.92178084020E-05 1.98018882427E-05 2.04036824378E-05 2.10237259262E-05 2.16625696575E-05 2.23207810625E-05 2.29989445360E-05 2.36976619348E-05 2.44175530881E-05 2.51592563230E-05 2.59234290047E-05 2.67107480911E-05 2.75219107036E-05 2.83576347128E-05 2.92186593408E-05 3.01057457802E-05 3.10196778295E-05 3.19612625458E-05 3.29313309161E-05 3.39307385452E-05 3.49603663637E-05 3.60211213536E-05 3.71139372940E-05 3.82397755262E-05 3.93996257395E-05 4.05945067768E-05 4.18254674616E-05 4.30935874469E-05 4.43999780851E-05 4.57457833208E-05 4.71321806062E-05 4.85603818395E-05 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