Generated using Vanderbilt code, version 7 3 5 Author: unknown Generation date: 20 6 2004 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.50000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 10.00000000000 2.10000000000 -0.86638426037 5S 5 0 2.00 10.00000000000 2.50000000000 -0.42096360720 5P 5 1 0.00 10.00000000000 2.50000000000 -0.09107090091 0 Version Number Cd Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 12.00000000000 Z valence -114.88011880392 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 889 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 2.00 5P 1 0.00 0.00000000000E+00 1.19209398672E-09 2.41436597639E-09 3.66757992880E-09 4.95251914345E-09 6.26998674919E-09 7.62080620615E-09 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1.22990761973E-06 1.32551168337E-06 1.42855590245E-06 1.53962103025E-06 1.65933033047E-06 1.78835779034E-06 1.92742842516E-06 2.07732370586E-06 2.23888768107E-06 2.41302776397E-06 2.60072388817E-06 2.80303100103E-06 3.02108664810E-06 3.25611765008E-06 3.50944509818E-06 3.78249371568E-06 4.07679914390E-06 4.39401564998E-06 4.73592812386E-06 5.10445855282E-06 5.50167912643E-06 5.92982484820E-06 6.39130090109E-06 6.88870471781E-06 7.42483232819E-06 8.00269707754E-06 8.62555102011E-06 9.29689353513E-06 1.00205015886E-05 1.08004423138E-05 1.16411017243E-05 1.25472060396E-05 1.35238492479E-05 1.45765220273E-05 1.57111429966E-05 1.69340897866E-05 1.82522372813E-05 1.96729940845E-05 2.12043481339E-05 2.28549039604E-05 2.46339399648E-05 2.65514540632E-05 2.86182205331E-05 3.08458555666E-05 3.32468738933E-05 3.58347669514E-05 3.86240739019E-05 4.16304629852E-05 4.48708232852E-05 4.83633541773E-05 5.21276702955E-05 5.61849124327E-05 6.05578599418E-05 6.52710660063E-05 7.03509906971E-05 7.58261469919E-05 8.17272659693E-05 8.80874597242E-05 9.49424193400E-05 1.02330598658E-04 1.10293440369E-04 1.18875605266E-04 1.28125211054E-04 1.38094119413E-04 1.48838207328E-04 1.60417682781E-04 1.72897431541E-04 1.86347353119E-04 2.00842780539E-04 2.16464867711E-04 2.33301062706E-04 2.51445582349E-04 2.70999930437E-04 2.92073473974E-04 3.14784031399E-04 3.39258533504E-04 3.65633724562E-04 3.94056905289E-04 4.24686767036E-04 4.57694233765E-04 4.93263432532E-04 5.31592681942E-04 5.72895589228E-04 6.17402222486E-04 6.65360357250E-04 7.17036842730E-04 7.72719043983E-04 8.32716416326E-04 8.97362174190E-04 9.67015112925E-04 1.04206152961E-03 1.12291733778E-03 1.21003026360E-03 1.30388231490E-03 1.40499229868E-03 1.51391864402E-03 1.63126236335E-03 1.75767023935E-03 1.89383827778E-03 2.04051536359E-03 2.19850721977E-03 2.36868062298E-03 2.55196795539E-03 2.74937204160E-03 2.96197136167E-03 3.19092561304E-03 3.43748166873E-03 3.70297996184E-03 3.98886129295E-03 4.29667412746E-03 4.62808236155E-03 4.98487366583E-03 5.36896831945E-03 5.78242871585E-03 6.22746939815E-03 6.70646785137E-03 7.22197590673E-03 7.77673190857E-03 8.37367366094E-03 9.01595213016E-03 9.70694601101E-03 1.04502771687E-02 1.12498269417E-02 1.21097534644E-02 1.30345098311E-02 1.40288633819E-02 1.50979159254E-02 1.62471249853E-02 1.74823262044E-02 1.88097566287E-02 2.02360791973E-02 2.17684081765E-02 2.34143356076E-02 2.51819587923E-02 2.70799085412E-02 2.91173783929E-02 3.13041544660E-02 3.36506458919E-02 3.61679157592E-02 3.88677121329E-02 4.17624991957E-02 4.48654879977E-02 4.81906665255E-02 5.17528288305E-02 5.55676024343E-02 5.96514737776E-02 6.40218108944E-02 6.86968825457E-02 7.36958730895E-02 7.90388919768E-02 8.47469768762E-02 9.08420890430E-02 9.73470996168E-02 1.04285765205E-01 1.11682690872E-01 1.19563278550E-01 1.27953658776E-01 1.36880602874E-01 1.46371413282E-01 1.56453788446E-01 1.67155659461E-01 1.78504994367E-01 1.90529566242E-01 2.03256681131E-01 2.16712860361E-01 2.30923473378E-01 2.45912315090E-01 2.61701122274E-01 2.78309024297E-01 2.95751920559E-01 3.14041781017E-01 3.33185861900E-01 3.53185832106E-01 3.74036805440E-01 3.95726272367E-01 4.18232929849E-01 4.41525404797E-01 4.65560871031E-01 4.90283561473E-01 5.15623177539E-01 5.41493204934E-01 5.67789144602E-01 5.94386675332E-01 6.21139769590E-01 6.47878788346E-01 6.74408592321E-01 7.00506711759E-01 7.25921628726E-01 7.50371237713E-01 7.73541558973E-01 7.95085796861E-01 8.14623845196E-01 8.31742358044E-01 8.45995520329E-01 8.56906662918E-01 8.63970885238E-01 8.66658855534E-01 8.64421968524E-01 8.56699046468E-01 8.42924761845E-01 8.22539958032E-01 7.95004018448E-01 7.59809409082E-01 7.16498476875E-01 6.64682526044E-01 6.04063129618E-01 5.34455543292E-01 4.55813994021E-01 3.68258512476E-01 2.72102864663E-01 1.67883042975E-01 5.63856811579E-02 -6.13243049714E-02 -1.83877589298E-01 -3.09576590836E-01 -4.36374727691E-01 -5.61859760103E-01 -6.83242681697E-01 -7.97354736905E-01 -9.00657527422E-01 -9.89275834187E-01 -1.05907145466E+00 -1.10579184154E+00 -1.12535335926E+00 -1.11436882902E+00 -1.07105229242E+00 -9.97229015979E-01 -8.96937272914E-01 -7.64272719301E-01 -6.03276160541E-01 -4.26599851003E-01 -2.50643064535E-01 -9.90255589852E-02 -2.26810233433E-03 1.02141238875E-04 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 3.89367123605E-01 1 2 7.33330052440E-01 2 2 2.93199897522E-01 3 3 1.03761007977E+00 3 4 3.61848388386E-01 4 4 9.80738006088E-01 5 5 4.17632224573E+00 5 6 6.19014957268E+00 6 6 8.30425821579E+00 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.00000000000E+00 2 1.00000000000E+00 3 1.00000000000E+00 4 1.00000000000E+00 5 1.00000000000E+00 1 1 0 i j (l(j)) -6.65870454160E-01 Q_int 0.00000000000E+00 -1.79848859930E-18 -7.37722279080E-18 -1.70233829639E-17 -3.10412370584E-17 -4.97530764939E-17 -7.35002016009E-17 -1.02643959128E-16 -1.37566834534E-16 -1.78673601923E-16 -2.26392534599E-16 -2.81176679418E-16 -3.43505198225E-16 -4.13884779879E-16 -4.92851126522E-16 -5.80970517950E-16 -6.78841458131E-16 -7.87096408140E-16 -9.06403609987E-16 -1.03746900605E-15 -1.18103825907E-15 -1.33789887791E-15 -1.50888245460E-15 -1.69486701831E-15 -1.89677951249E-15 -2.11559840140E-15 -2.35235641276E-15 -2.60814342362E-15 -2.88410949681E-15 -3.18146807570E-15 -3.50149934563E-15 -3.84555377044E-15 -4.21505581320E-15 -4.61150785079E-15 -5.03649429209E-15 -5.49168591056E-15 -5.97884440211E-15 -6.49982717993E-15 -7.05659241859E-15 -7.65120436016E-15 -8.28583889589E-15 -8.96278943782E-15 -9.68447309505E-15 -1.04534371705E-14 -1.12723659949E-14 -1.21440881146E-14 -1.30715838530E-14 -1.40579932626E-14 -1.51066244904E-14 -1.62209625758E-14 -1.74046787045E-14 -1.86616399408E-14 -1.99959194652E-14 -2.14118073402E-14 -2.29138218337E-14 -2.45067213289E-14 -2.61955168483E-14 -2.79854852274E-14 -2.98821829676E-14 -3.18914608062E-14 -3.40194790385E-14 -3.62727236320E-14 -3.86580231729E-14 -4.11825666873E-14 -4.38539223830E-14 -4.66800573587E-14 -4.96693583305E-14 -5.28306534283E-14 -5.61732351162E-14 -5.97068842959E-14 -6.34418956534E-14 -6.73891043128E-14 -7.15599138645E-14 -7.59663258387E-14 -8.06209706981E-14 -8.55371404285E-14 -9.07288228087E-14 -9.62107374464E-14 -1.01998373671E-13 -1.08108030380E-13 -1.14556857933E-13 -1.21362902211E-13 -1.28545150940E-13 -1.36123582398E-13 -1.44119216639E-13 -1.52554169340E-13 -1.61451708435E-13 -1.70836313655E-13 -1.80733739132E-13 -1.91171079233E-13 -2.02176837771E-13 -2.13781000785E-13 -2.26015113061E-13 -2.38912358595E-13 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-3.94115243847E-12 -4.14868094281E-12 -4.36699155702E-12 -4.59664068380E-12 -4.83821334418E-12 -5.09232464706E-12 -5.35962133429E-12 -5.64078340487E-12 -5.93652582261E-12 -6.24760031133E-12 -6.57479724220E-12 -6.91894761793E-12 -7.28092515871E-12 -7.66164849520E-12 -8.06208347403E-12 -8.48324558154E-12 -8.92620249195E-12 -9.39207674615E-12 -9.88204856797E-12 -1.03973588249E-11 -1.09393121408E-11 -1.15092801681E-11 -1.21087050278E-11 -1.27391029265E-11 -1.34020679581E-11 -1.40992761013E-11 -1.48324894216E-11 -1.56035604893E-11 -1.64144370233E-11 -1.72671667746E-11 -1.81639026584E-11 -1.91069081510E-11 -2.00985629628E-11 -2.11413690022E-11 -2.22379566457E-11 -2.33910913295E-11 -2.46036804792E-11 -2.58787807946E-11 -2.72196059088E-11 -2.86295344394E-11 -3.01121184533E-11 -3.16710923648E-11 -3.33103822911E-11 -3.50341158866E-11 -3.68466326825E-11 -3.87524949556E-11 -4.07564991560E-11 -4.28636879190E-11 -4.50793626948E-11 -4.74090970248E-11 -4.98587504992E-11 -5.24344834302E-11 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