Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Info: Ag PBE 4d10 5s1 5p0 RRKJ3 Ultrasoft 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.30000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5P 2 1 0.00 2.50000000000 2.50000000000 0.00000000000 4D 3 2 10.00 1.80000000000 2.40000000000 0.00000000000 4D 3 2 0.00 1.80000000000 2.40000000000 0.00000000000 5S 1 0 1.00 2.30000000000 2.30000000000 0.00000000000 0 Version Number Ag Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 11.00000000000 Z valence -73.44129331100 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 1495 Number of points in mesh 2 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4d 2 10.00 5s 0 1.00 1.94017439480E-05 1.95967347164E-05 1.97936851746E-05 1.99926150178E-05 2.01935441392E-05 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1.61452613903E-03 1.63559544418E-03 1.70339714879E-03 1.73800458347E-03 1.81190288205E-03 1.87151000225E-03 1.89447559453E-03 1.99114989189E-03 2.01662518571E-03 2.12950027398E-03 2.11927680818E-03 2.24976556444E-03 2.28583930317E-03 2.35087424372E-03 2.46000270254E-03 2.49813731107E-03 2.58414094181E-03 2.66515116367E-03 2.75264980746E-03 2.81665782646E-03 2.91595353282E-03 3.00190253467E-03 3.11191647978E-03 3.17512076502E-03 3.28893251630E-03 3.39186519329E-03 3.47722684070E-03 3.60179217968E-03 3.71049632257E-03 3.80909594967E-03 3.94273336856E-03 4.05555134211E-03 4.16535919808E-03 4.31958626796E-03 4.42824947348E-03 4.55363568754E-03 4.73949787089E-03 4.81972158658E-03 5.04032807917E-03 5.14788648584E-03 5.24087590687E-03 5.55588070025E-03 5.59422065393E-03 5.83328651780E-03 5.97167905176E-03 6.15619662674E-03 6.38114815943E-03 6.53776440006E-03 6.73171669124E-03 6.97989926225E-03 7.17353833925E-03 7.33963617041E-03 7.62632377838E-03 7.86381572873E-03 8.05409637673E-03 8.32812206885E-03 8.59160207589E-03 8.81475150894E-03 9.13163280721E-03 9.38837549379E-03 9.63526643895E-03 9.97301966038E-03 1.02863219485E-02 1.05533149656E-02 1.09184844490E-02 1.12451299846E-02 1.15456556039E-02 1.19511379936E-02 1.22625531718E-02 1.26920356188E-02 1.30175980327E-02 1.34741488494E-02 1.38360849068E-02 1.42767853574E-02 1.47119152569E-02 1.51581163463E-02 1.56153357806E-02 1.60960784963E-02 1.65692946450E-02 1.71012200932E-02 1.76033550891E-02 1.81352904990E-02 1.86828952531E-02 1.92843917736E-02 1.98355810669E-02 2.04331947436E-02 2.10980468481E-02 2.16974057840E-02 2.23638035316E-02 2.30640551822E-02 2.37485034856E-02 2.44784794614E-02 2.52037638353E-02 2.60032388300E-02 2.67614997298E-02 2.75958114358E-02 2.84181427141E-02 2.93013976169E-02 3.01685542544E-02 3.11041124386E-02 3.20417722518E-02 3.30149308900E-02 3.40144211252E-02 3.50559244021E-02 3.61126059841E-02 3.72166647557E-02 3.83444506929E-02 3.95021852198E-02 4.07181808902E-02 4.19385197153E-02 4.32172874170E-02 4.45312280921E-02 4.58863393523E-02 4.72705583862E-02 4.87187101980E-02 5.01780562027E-02 5.17245404292E-02 5.32755959900E-02 5.49054550477E-02 5.65622354765E-02 5.82840507627E-02 6.00518114116E-02 6.18743663355E-02 6.37482792057E-02 6.56855078584E-02 6.76803011342E-02 6.97273912432E-02 7.18472895820E-02 7.40230336454E-02 7.62712824697E-02 7.85817832618E-02 8.09633161761E-02 8.34214366302E-02 8.59454095821E-02 8.85555629409E-02 9.12368003461E-02 9.40044733572E-02 9.68477179854E-02 9.97904573236E-02 1.02805454488E-01 1.05926604331E-01 1.09129031992E-01 1.12439864108E-01 1.15840076699E-01 1.19352560207E-01 1.22963901318E-01 1.26686145914E-01 1.30520875981E-01 1.34472863856E-01 1.38539914997E-01 1.42734711401E-01 1.47050881103E-01 1.51500175776E-01 1.56083312583E-01 1.60799790315E-01 1.65667190206E-01 1.70673348098E-01 1.75831523188E-01 1.81148489721E-01 1.86620152358E-01 1.92262408687E-01 1.98066170657E-01 2.04051682132E-01 2.10213752540E-01 2.16560497517E-01 2.23097591219E-01 2.29833508277E-01 2.36768099495E-01 2.43914475277E-01 2.51269444198E-01 2.58850257035E-01 2.66653953505E-01 2.74696618217E-01 2.82974307859E-01 2.91503798184E-01 3.00285572478E-01 3.09332321538E-01 3.18647903265E-01 3.28243660737E-01 3.38124027886E-01 3.48299841089E-01 3.58781008838E-01 3.69572462889E-01 3.80688044423E-01 3.92132373432E-01 4.03920667683E-01 4.16057835602E-01 4.28557261120E-01 4.41427855343E-01 4.54682370543E-01 4.68330123282E-01 4.82382071170E-01 4.96854478172E-01 5.11753322136E-01 5.27095585842E-01 5.42893418612E-01 5.59156463525E-01 5.75904329998E-01 5.93146569398E-01 6.10898121599E-01 6.29175171202E-01 6.47992230433E-01 6.67364089483E-01 6.87308231080E-01 7.07840198093E-01 7.28976728081E-01 7.50736072284E-01 7.73134714453E-01 7.96193626560E-01 8.19928070414E-01 8.44360159920E-01 8.69508861722E-01 8.95395066282E-01 9.22037972012E-01 9.49462437569E-01 9.77686608533E-01 1.00673730913E+00 1.03663478797E+00 1.06740378472E+00 1.09906962063E+00 1.13165707521E+00 1.16519182228E+00 1.19970128731E+00 1.23521112855E+00 1.27175119644E+00 1.30934899418E+00 1.34803419138E+00 1.38783764938E+00 1.42878938507E+00 1.47092197031E+00 1.51426755022E+00 1.55885960735E+00 1.60473284742E+00 1.65192175207E+00 1.70046205989E+00 1.75039237032E+00 1.80174806888E+00 1.85456988769E+00 1.90889605873E+00 1.96476827649E+00 2.02222734105E+00 2.08131636241E+00 2.14207864487E+00 2.20455899718E+00 2.26880274446E+00 2.33485733519E+00 2.40276973219E+00 2.47258925740E+00 2.54436623097E+00 2.61815107265E+00 2.69399657037E+00 2.77195601662E+00 2.85208393419E+00 2.93443631229E+00 3.01906965997E+00 3.10604268687E+00 3.19541434822E+00 3.28724540859E+00 3.38159781000E+00 3.47853448998E+00 3.57811963093E+00 3.68041915576E+00 3.78549968739E+00 3.89342934556E+00 4.00427756740E+00 4.11811479013E+00 4.23501319617E+00 4.35504569648E+00 4.47828661542E+00 4.60481197061E+00 4.73469828707E+00 4.86802371806E+00 5.00486765718E+00 5.14531050052E+00 5.28943395419E+00 5.43732070394E+00 5.58905481371E+00 5.74472106814E+00 5.90440560332E+00 6.06819546095E+00 6.23617855003E+00 6.40844384024E+00 6.58508106766E+00 6.76618077147E+00 6.95183431670E+00 7.14213355191E+00 7.33717125362E+00 7.53704025393E+00 7.74183422838E+00 7.95164691073E+00 8.16657246582E+00 8.38670492652E+00 8.61213856851E+00 8.84296741804E+00 9.07928527319E+00 9.32118544194E+00 9.56876084977E+00 9.82210350476E+00 1.00813046245E+01 1.03464543414E+01 1.06176414453E+01 1.08949532882E+01 1.11784754795E+01 1.14682916863E+01 1.17644833637E+01 1.20671295799E+01 1.23763064897E+01 1.26920874505E+01 1.30145423275E+01 1.33437372660E+01 1.36797346493E+01 1.40225922577E+01 1.43723631853E+01 1.47290955205E+01 1.50928316096E+01 1.54636079704E+01 1.58414545858E+01 1.62263945552E+01 1.66184436055E+01 1.70176094524E+01 1.74238913870E+01 1.78372797304E+01 1.82577550509E+01 1.86852877902E+01 1.91198375135E+01 1.95613522536E+01 2.00097678442E+01 2.04650072168E+01 2.09269797038E+01 2.13955801982E+01 2.18706884782E+01 2.23521683386E+01 2.28398667734E+01 2.33336131760E+01 2.38332184014E+01 2.43384739103E+01 2.48491508824E+01 2.53649992191E+01 2.58857466497E+01 2.64110977555E+01 2.69407329533E+01 2.74743075338E+01 2.80114506672E+01 2.85517643416E+01 2.90948223979E+01 2.96401694666E+01 3.01873199686E+01 3.07357571210E+01 3.12849318601E+01 3.18342619574E+01 3.23831309414E+01 3.29308872269E+01 3.34768431605E+01 3.40202741497E+01 3.45604178362E+01 3.50964732966E+01 3.56276003390E+01 3.61529188347E+01 3.66715081385E+01 3.71824066183E+01 3.76846112472E+01 3.81770773300E+01 3.86587183425E+01 3.91284059158E+01 3.95849699339E+01 4.00271988480E+01 4.04538401032E+01 4.08636008148E+01 4.12551485986E+01 4.16271126499E+01 4.19780850698E+01 4.23066224126E+01 4.26112475444E+01 4.28904517531E+01 4.31426972022E+01 4.33664196812E+01 4.35600317143E+01 4.37219260285E+01 4.38504793946E+01 4.39440568542E+01 4.40010163918E+01 4.40197139701E+01 4.39985090758E+01 4.39357706580E+01 4.38298835509E+01 4.36792553720E+01 4.34823238809E+01 4.32375648239E+01 4.29435002473E+01 4.25987072965E+01 4.22018274698E+01 4.17515763413E+01 4.12467536819E+01 4.06862540626E+01 4.00690777540E+01 3.93943420632E+01 3.86612929254E+01 3.78693167669E+01 3.70179525934E+01 3.61069042001E+01 3.51360524539E+01 3.41054675815E+01 3.30154213312E+01 3.18663989688E+01 3.06591109368E+01 2.93945041252E+01 2.80737725815E+01 2.66983675451E+01 2.52700066881E+01 2.37906823798E+01 2.22626688461E+01 2.06885280701E+01 1.90711142665E+01 1.74135767633E+01 1.57193611578E+01 1.39922085614E+01 1.22361527755E+01 1.04555153081E+01 8.65489802262E+00 6.83917334123E+00 5.01347190565E+00 3.18316756386E+00 1.35385968773E+00 -4.68647282883E-01 -2.27836703068E+00 -4.06915725914E+00 -5.83474826751E+00 -7.56877406974E+00 -9.26480592935E+00 -1.09163881230E+01 -1.25170757124E+01 -1.40604740550E+01 -1.55402797320E+01 -1.69503225819E+01 -1.82846084056E+01 -1.95373619911E+01 -2.07030699625E+01 -2.17765230559E+01 -2.27528573246E+01 -2.36275938540E+01 -2.43966765092E+01 -2.50565073417E+01 -2.56039792765E+01 -2.60365057679E+01 -2.63520471857E+01 -2.65491337872E+01 -2.66268852309E+01 -2.65850266791E+01 -2.64239017089E+01 -2.61444823203E+01 -2.57483765721E+01 -2.52378344077E+01 -2.46157525232E+01 -2.38856791679E+01 -2.30518200372E+01 -2.21190465344E+01 -2.10929078675E+01 -1.99796486852E+01 -1.87862341427E+01 -1.75203846068E+01 -1.61906225111E+01 -1.48063343683E+01 -1.33778514773E+01 -1.19165536451E+01 -1.04350012735E+01 -8.94710244919E+00 -7.46832343056E+00 -6.01595314059E+00 -4.60943512436E+00 -3.27078394551E+00 -2.02510747863E+00 -9.01261902659E-01 6.73275900060E-02 8.41636527560E-01 1.37577906277E+00 1.61624746903E+00 1.50824662444E+00 9.75464113407E-01 1.25975675419E-01 -1.30844680053E-02 7.64490576218E-04 -6.03644268219E-04 -4.57548377518E-04 -4.62272918300E-04 -4.52124418792E-04 -4.43600574165E-04 -4.35065616278E-04 -4.26688673313E-04 -4.18459242004E-04 4 Number of nonzero Dij 1 1 1.94872996608E-02 2 2 -2.99396530505E+00 2 3 2.80762855301E+00 3 3 -2.63522601553E+00 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 1 i j (l(j)) 1.55323731270E-18 Q_int 9.78371073063E-39 -3.88708686299E-39 -1.11864706653E-38 2.71306576682E-39 5.08119350672E-39 1.11332143016E-38 -8.33407401162E-39 3.50044234680E-38 9.62159064020E-39 1.87108173065E-39 1.59358697075E-38 -3.81161509603E-40 2.20426298843E-38 -4.47012183934E-39 -8.55173728106E-39 5.17078618159E-39 1.95698584806E-38 -2.28653629173E-38 -2.52818772795E-39 7.51207691301E-39 -6.83365186928E-39 1.89309634225E-38 -1.48658459935E-38 8.90780295209E-39 -1.34054666589E-37 -1.19617714183E-38 -4.88980601849E-39 -3.19958240922E-38 -7.73539445192E-39 1.03745296281E-38 -2.03560125387E-38 4.68035655964E-38 -8.94110816146E-39 -1.70498167635E-38 1.50286998940E-38 -6.83143514781E-39 -1.41265540418E-37 -3.09433366490E-38 -1.76114067443E-38 -4.28531953830E-38 -2.96069901784E-38 -3.55804475812E-38 -1.93465424692E-38 1.86312274482E-38 1.67590806364E-37 8.86138856817E-38 6.22374087857E-38 7.25349584026E-40 1.12281625475E-38 1.82394933353E-38 7.95492355167E-38 2.86673747933E-38 8.36888625205E-39 9.35433156486E-38 7.02820336005E-38 7.68416942099E-38 -7.30828531306E-38 -9.17205760758E-38 -7.21141099058E-40 -3.73687404704E-38 -1.48825921845E-38 -1.45101162016E-38 -4.85648920493E-38 3.24462235075E-38 1.69810611730E-37 1.21728909370E-37 2.41735228894E-38 1.40526522105E-37 2.83486542522E-38 -1.98414208089E-38 -6.22229169787E-37 -3.08165369079E-38 -7.87976943512E-37 1.79297796404E-37 -1.09215664629E-37 -4.42866912339E-38 -7.58665526500E-38 1.25889409114E-37 5.63528982566E-37 -1.08604193298E-37 -3.23604351509E-37 3.07415946456E-37 -1.19606388824E-37 -3.05520033829E-37 1.46351964937E-37 -4.59301111851E-38 -2.96691009560E-37 -1.89396424794E-37 1.97713774673E-37 1.25365612886E-37 -1.22602671006E-37 -1.58140395414E-37 -1.66197892702E-37 3.59587548510E-37 -2.70032023011E-38 -3.62734775974E-37 1.56999048032E-37 5.41583341425E-37 2.40936751383E-38 -7.32469056288E-38 -1.44273641511E-37 3.19681092851E-37 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