Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 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 5D 5 2 10.00 0.00000000000 2.10000000000 -1.55534632800 6S 6 0 2.00 0.00000000000 2.30000000000 -0.88901088400 6P 6 1 2.00 0.00000000000 2.30000000000 -0.25846794200 0 Version Number Pb Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 14.00000000000 Z valence -163.59691392700 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 899 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5D 2 10.00 6S 0 2.00 6P 1 2.00 0.00000000000E+00 6.97811114178E-10 1.41328740082E-09 2.14687605588E-09 2.89903559617E-09 3.67023614587E-09 4.46095973043E-09 5.27170057784E-09 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-1.66437791962E-10 -2.17721469439E-11 1.37864736942E-10 3.14091104405E-10 5.08241931858E-10 7.21693020852E-10 9.56510903484E-10 1.21376118124E-09 1.49588661342E-09 1.80465861888E-09 2.14215701193E-09 2.51147090720E-09 2.91413125593E-09 3.35364139408E-09 3.83266785538E-09 4.35443812023E-09 4.92290526755E-09 5.54097885589E-09 6.21330792912E-09 6.94416935925E-09 7.73788543904E-09 8.60041964483E-09 9.53614164370E-09 1.05516887833E-08 1.16532894022E-08 1.28473618507E-08 1.41424821730E-08 1.55451606314E-08 1.70649964191E-08 1.87111383483E-08 2.04930291096E-08 2.24226293257E-08 2.45104125218E-08 2.67695582535E-08 2.92134916333E-08 3.18566099533E-08 3.47155617425E-08 3.78060327348E-08 4.11471838032E-08 4.47586593313E-08 4.86611401370E-08 5.28790584463E-08 5.74355284744E-08 6.23578183669E-08 6.76753528112E-08 7.34176354709E-08 7.96204299739E-08 8.63173223843E-08 9.35485068901E-08 1.01355927923E-07 1.09783742003E-07 1.18882396035E-07 1.28702632488E-07 1.39301394549E-07 1.50740898330E-07 1.63084699993E-07 1.76406399792E-07 1.90779753781E-07 2.06288528960E-07 2.23021472106E-07 2.41073042557E-07 2.60548665942E-07 2.81556996700E-07 3.04219078174E-07 3.28664116968E-07 3.55030243198E-07 3.83469673649E-07 4.14141416994E-07 4.47221089043E-07 4.82896936546E-07 5.21369454120E-07 5.62860128683E-07 6.07600619316E-07 6.55845906116E-07 7.07869562905E-07 7.63963936823E-07 8.24449965935E-07 8.89664684004E-07 9.59980332758E-07 1.03579173365E-06 1.11752672896E-06 1.20564938212E-06 1.30065153856E-06 1.40307226053E-06 1.51348713852E-06 1.63251647917E-06 1.76083424942E-06 1.89915677741E-06 2.04826529116E-06 2.20899609007E-06 2.38225134489E-06 2.56900789397E-06 2.77030648617E-06 2.98728211995E-06 3.22114840271E-06 3.47321336896E-06 3.74489557072E-06 4.03770719056E-06 4.35328997982E-06 4.69340918698E-06 5.05996004879E-06 5.45499761141E-06 5.88071710509E-06 6.33949652013E-06 6.83389451270E-06 7.36665824457E-06 7.94076067576E-06 8.55938535919E-06 9.22597525331E-06 9.94422762590E-06 1.07181262919E-05 1.15519659643E-05 1.24503543516E-05 1.34182647254E-05 1.44610473094E-05 1.55844514067E-05 1.67946813630E-05 1.80983883210E-05 1.95027537984E-05 2.10154856238E-05 2.26448811301E-05 2.43998753086E-05 2.62900519559E-05 2.83257431830E-05 3.05180432301E-05 3.28788816879E-05 3.54210889797E-05 3.81584373802E-05 4.11057471379E-05 4.42789240434E-05 4.76950602610E-05 5.13725241501E-05 5.53310104279E-05 5.95916932270E-05 6.41772837774E-05 6.91121487809E-05 7.44224495868E-05 8.01362156039E-05 8.62835220907E-05 9.28966045772E-05 1.00009989876E-04 1.07660694441E-04 1.15888316397E-04 1.24735279070E-04 1.34246952361E-04 1.44471868841E-04 1.55461930625E-04 1.67272551078E-04 1.79962966099E-04 1.93596364226E-04 2.08240165805E-04 2.23966273599E-04 2.40851229603E-04 2.58976588570E-04 2.78429060470E-04 2.99300822220E-04 3.21689781045E-04 3.45699755340E-04 3.71440812619E-04 3.99029451759E-04 4.28588824429E-04 4.60249004251E-04 4.94147055060E-04 5.30427302832E-04 5.69241369960E-04 6.10748257086E-04 6.55114369898E-04 7.02513386192E-04 7.53126168640E-04 8.07140454179E-04 8.64750467802E-04 9.26156441261E-04 9.91563775684E-04 1.06118229524E-03 1.13522497300E-03 1.21390653875E-03 1.29744180278E-03 1.38604340286E-03 1.47991943027E-03 1.57927028042E-03 1.68428511813E-03 1.79513769067E-03 1.91198120454E-03 2.03494274525E-03 2.16411633218E-03 2.29955514973E-03 2.44126251349E-03 2.58918125317E-03 2.74318183046E-03 2.90304836813E-03 3.06846287735E-03 3.23898715039E-03 3.41404199040E-03 3.59288392180E-03 3.77457830732E-03 3.95796918285E-03 4.14164512540E-03 4.32390035301E-03 4.50269150483E-03 4.67558843540E-03 4.83971930441E-03 4.99170909666E-03 5.12761043851E-03 5.24282725239E-03 5.33202884225E-03 5.38905488957E-03 5.40681077856E-03 5.37715034200E-03 5.29074874666E-03 5.13696081154E-03 4.90366696642E-03 4.57710526058E-03 4.14168717563E-03 3.57980025143E-03 2.87159323972E-03 1.99474660606E-03 9.24228141740E-04 -3.67967899158E-04 -1.91309280962E-03 -3.74592953321E-03 -5.90508667140E-03 -8.43329816703E-03 -1.13777259532E-02 -1.47902556636E-02 -1.87277827916E-02 -2.32524765286E-02 -2.84320111676E-02 -3.43397534300E-02 -4.10548852141E-02 -4.86624472673E-02 -5.72532775224E-02 -6.69238182150E-02 -7.77757641632E-02 -8.99155118535E-02 -1.03453375950E-01 -1.18502524825E-01 -1.35177587247E-01 -1.53592880672E-01 -1.73860197737E-01 -1.96086099451E-01 -2.20368647283E-01 -2.46793517178E-01 -2.75429439407E-01 -3.06322909351E-01 -3.39492136042E-01 -3.74920202022E-01 -4.12547437663E-01 -4.52263047788E-01 -4.93896061528E-01 -5.37205743482E-01 -5.81871659596E-01 -6.27483678069E-01 -6.73532284688E-01 -7.19399692370E-01 -7.64352365085E-01 -8.07535698361E-01 -8.47971749301E-01 -8.84561052266E-01 -9.16089674720E-01 -9.41242782734E-01 -9.58626022407E-01 -9.66796002294E-01 -9.64301024289E-01 -9.49732904211E-01 -9.21790240341E-01 -8.79352720957E-01 -8.21565005483E-01 -7.47927297004E-01 -6.58387910995E-01 -5.53430979045E-01 -4.34149928451E-01 -3.02294762894E-01 -1.60278739738E-01 -1.11283378621E-02 1.41639646212E-01 2.94227154478E-01 4.42855518196E-01 5.84147530833E-01 7.15553403297E-01 8.35738413364E-01 9.44780748035E-01 1.04392407836E+00 1.13447810307E+00 1.21524224293E+00 1.27754605767E+00 1.29639232037E+00 1.21746512018E+00 9.27912096966E-01 5.21954846247E-01 1.85426979212E-01 -2.40031260001E-02 -2.93560118137E-04 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 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 3.56283568155E-01 1 2 -2.61189859246E+00 2 2 -1.53685727317E+00 3 3 -1.25200825553E+00 3 4 -4.01779355834E+00 4 4 4.05592938804E-01 5 5 5.49614402829E+00 5 6 -8.64610843024E+00 6 6 1.34837051123E+01 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)) -6.95033168928E-01 Q_int 0.00000000000E+00 -9.00369101459E-19 -3.69322522145E-18 -8.52233816161E-18 -1.55400321855E-17 -2.49076545691E-17 -3.67960689316E-17 -5.13861746391E-17 -6.88694536337E-17 -8.94485461184E-17 -1.13337856595E-16 -1.40764191832E-16 -1.71967432428E-16 -2.07201239704E-16 -2.46733799766E-16 -2.90848606672E-16 -3.39845286720E-16 -3.94040465998E-16 -4.53768683439E-16 -5.19383351740E-16 -5.91257768619E-16 -6.69786181031E-16 -7.55384905073E-16 -8.48493504469E-16 -9.49576030670E-16 -1.05912232775E-15 -1.17764940545E-15 -1.30570288392E-15 -1.44385851385E-15 -1.59272377582E-15 -1.75293956315E-15 -1.92518195236E-15 -2.11016406588E-15 -2.30863803174E-15 -2.52139704530E-15 -2.74927753822E-15 -2.99316146024E-15 -3.25397867961E-15 -3.53270950829E-15 -3.83038735832E-15 -4.14810153617E-15 -4.48700018218E-15 -4.84829336261E-15 -5.23325632205E-15 -5.64323290463E-15 -6.07963915262E-15 -6.54396709156E-15 -7.03778871163E-15 -7.56276015529E-15 -8.12062612180E-15 -8.71322449997E-15 -9.34249124060E-15 -1.00104654813E-14 -1.07192949363E-14 -1.14712415656E-14 -1.22686875364E-14 -1.31141414942E-14 -1.40102451569E-14 -1.49597802503E-14 -1.59656758022E-14 -1.70310158129E-14 -1.81590473227E-14 -1.93531888954E-14 -2.06170395401E-14 -2.19543880939E-14 -2.33692230890E-14 -2.48657431288E-14 -2.64483677992E-14 -2.81217491439E-14 -2.98907837311E-14 -3.17606253421E-14 -3.37366983155E-14 -3.58247115783E-14 -3.80306734017E-14 -4.03609069163E-14 -4.28220664280E-14 -4.54211545743E-14 -4.81655403650E-14 -5.10629781521E-14 -5.41216275775E-14 -5.73500745477E-14 -6.07573532893E-14 -6.43529695400E-14 -6.81469249343E-14 -7.21497426443E-14 -7.63724943411E-14 -8.08268285435E-14 -8.55250004265E-14 -9.04799031640E-14 -9.57051008838E-14 -1.01214863320E-13 -1.07024202244E-13 -1.13148909781E-13 -1.19605598679E-13 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