Generated using BHS code Author: BHS Generation date: 1982 Info: See Bachelet-Hamann-Schlueter paper: PRB26, 4199 (1982) 1 The Pseudo was generated with a Scalar-Relativistic Calculation 0.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 6S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000 6P 0 1 2.00 0.00000000000 0.00000000000 0.00000000000 6D 0 2 0.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number Pb Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 4.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 331 Number of points in mesh 3 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 6S 0 2.00 6P 1 2.00 6D 2 0.00 8.21700853547E-05 8.57375864127E-05 8.94599742977E-05 9.33439735850E-05 9.73966008043E-05 1.01625177115E-04 1.06037341534E-04 1.10641064732E-04 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1.78741189422E-01 1.95952209085E-01 2.14848764553E-01 2.35585272578E-01 2.58324859277E-01 2.83238116175E-01 3.10501203092E-01 3.40293311436E-01 3.72793392117E-01 4.08176036204E-01 4.46606447938E-01 4.88234603993E-01 5.33188342586E-01 5.81565366191E-01 6.33423704101E-01 6.88769960580E-01 7.47543821288E-01 8.09596589143E-01 8.74660190493E-01 9.42302078109E-01 1.01185944439E+00 1.08234854281E+00 1.15234441531E+00 1.21983529979E+00 1.28206577091E+00 1.33540114545E+00 1.37526850856E+00 1.39625183235E+00 1.39243160290E+00 1.35804604066E+00 1.28849823409E+00 1.18162386621E+00 1.03898828055E+00 8.66830431087E-01 6.76199067045E-01 4.81919150115E-01 3.00331541970E-01 1.46213614413E-01 2.97291755295E-02 -4.55757052788E-02 -8.29907011293E-02 -9.09956363937E-02 -8.04172229038E-02 -6.14854424711E-02 -4.17839642947E-02 -2.55497260644E-02 -1.41414371070E-02 -7.10483741811E-03 -3.24321930765E-03 -1.34443850383E-03 -5.05117777537E-04 -1.71371297702E-04 -5.22083126010E-05 -1.41734685607E-05 -3.39624050762E-06 -7.10325212792E-07 -1.28069624749E-07 -1.96384436691E-08 -2.52447494930E-09 -2.67878622100E-10 -2.30788970573E-11 -1.58574122454E-12 -8.52420259756E-14 -3.51229517470E-15 -1.00708634765E-16 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 3 2 Beta L 277 1.05187744843E-13 1.19491683509E-13 1.35740746968E-13 1.54199434331E-13 1.75168228937E-13 1.98988455518E-13 2.26047879548E-13 2.56786975267E-13 2.91706126940E-13 3.31373755979E-13 3.76435579707E-13 4.27625133999E-13 4.85775692096E-13 5.51833851454E-13 6.26874920920E-13 7.12120446230E-13 8.08958064886E-13 9.18964123979E-13 1.04392939161E-12 1.18588800150E-12 1.34715089474E-12 1.53034307527E-12 1.73844659692E-12 1.97484913516E-12 2.24339880479E-12 2.54846713416E-12 2.89502019592E-12 3.28869921698E-12 3.73591265165E-12 4.24394037938E-12 4.82105215802E-12 5.47664246359E-12 6.22138318627E-12 7.06739734218E-12 8.02845659352E-12 9.12020558964E-12 1.03604157743E-11 1.17692756405E-11 1.33697197097E-11 1.51877996173E-11 1.72531110434E-11 1.95992735519E-11 2.22644787666E-11 2.52921120313E-11 2.87314571025E-11 3.26385015144E-11 3.70768455531E-11 4.21187361500E-11 4.78462484751E-11 5.43526159625E-11 6.17437513924E-11 7.01399693100E-11 7.96779435913E-11 9.05129412979E-11 1.02821337235E-10 1.16803487838E-10 1.32686996715E-10 1.50730425493E-10 1.71227489645E-10 1.94511842173E-10 2.20962511281E-10 2.51010080213E-10 2.85143660704E-10 3.23918895167E-10 3.67966972941E-10 4.18004932463E-10 4.74847293469E-10 5.39419357232E-10 6.12772240962E-10 6.96100021145E-10 7.90759110720E-10 8.98290443255E-10 1.02044434655E-09 1.15920939163E-09 1.31684434258E-09 1.49591533835E-09 1.69933726294E-09 1.93042150852E-09 2.19292969046E-09 2.49113500450E-09 2.82989181373E-09 3.21471442071E-09 3.65186708227E-09 4.14846592804E-09 4.71259469353E-09 5.35343654526E-09 6.08142317410E-09 6.90840505052E-09 7.84784423865E-09 8.91503241365E-09 1.01273427534E-08 1.15045087238E-08 1.30689487883E-08 1.48461286654E-08 1.68649786954E-08 1.91583619072E-08 2.17636111539E-08 2.47231345840E-08 2.80851092844E-08 3.19042623611E-08 3.62427622352E-08 4.11712333777E-08 4.67699033014E-08 5.31299089912E-08 6.03547796744E-08 6.85621253157E-08 7.78855440603E-08 8.84768147514E-08 1.00508339241E-07 1.14175976305E-07 1.29702205428E-07 1.47339771067E-07 1.67375782409E-07 1.90136400850E-07 2.15992122517E-07 2.45363854202E-07 2.78729701823E-07 3.16632824071E-07 3.59690211558E-07 4.08602788176E-07 4.64166768418E-07 5.27286645299E-07 5.98989926269E-07 6.80443837356E-07 7.72974296564E-07 8.78087641171E-07 9.97494888147E-07 1.13313993796E-06 1.28723077339E-06 1.46227588627E-06 1.66112474113E-06 1.88701433176E-06 2.14362197650E-06 2.43512493840E-06 2.76626855804E-06 3.14244341093E-06 3.56977347016E-06 4.05521512349E-06 4.60667108127E-06 5.23311865493E-06 5.94475599910E-06 6.75316821862E-06 7.67151626848E-06 8.71474958815E-06 9.89985332731E-06 1.12461199303E-05 1.27754671676E-05 1.45127936216E-05 1.64863831939E-05 1.87283688751E-05 2.12752520448E-05 2.41684992695E-05 2.74552172496E-05 3.11889204973E-05 3.54304033730E-05 4.02487280741E-05 4.57223540906E-05 5.19404133013E-05 5.90041620092E-05 6.70286360037E-05 7.61445199880E-05 8.65002851987E-05 9.82646019515E-05 1.11629089527E-04 1.26811469305E-04 1.44059078261E-04 1.63652933143E-04 1.85912307125E-04 2.11199956609E-04 2.39928062100E-04 2.72564924752E-04 3.09642687185E-04 3.51766009179E-04 3.99622009921E-04 4.53991501759E-04 5.15761877286E-04 5.85941636986E-04 6.65677042786E-04 7.56271037692E-04 8.59204608310E-04 9.76161697072E-04 1.10905668351E-03 1.26006636266E-03 1.43166650295E-03 1.62667286363E-03 1.84828850059E-03 2.10015787284E-03 2.38642804644E-03 2.71181904758E-03 3.08170387999E-03 3.50220039549E-03 3.98027521939E-03 4.52386347816E-03 5.14200451584E-03 5.84499639097E-03 6.64457207809E-03 7.55409852184E-03 8.58880281076E-03 9.76602313255E-03 1.11054956179E-02 1.26296649548E-02 1.43640307047E-02 1.63375237165E-02 1.85829000513E-02 2.11371620527E-02 2.40419734361E-02 2.73440639932E-02 3.10955983836E-02 3.53544628913E-02 4.01844347306E-02 4.56551831480E-02 5.18420272373E-02 5.88253822995E-02 6.66898201638E-02 7.55226414113E-02 8.54118854437E-02 9.64436587661E-02 1.08698641472E-01 1.22247658011E-01 1.37145951907E-01 1.53425784685E-01 1.71086755978E-01 1.90082942118E-01 2.10305824550E-01 2.31562061058E-01 2.53545789256E-01 2.75806610742E-01 2.97717239059E-01 3.18448827245E-01 3.36966564020E-01 3.52062032530E-01 3.62438461900E-01 3.66858001347E-01 3.64343285444E-01 3.54400788195E-01 3.37207399937E-01 3.13687644505E-01 2.85420811394E-01 2.54363294275E-01 2.22442583831E-01 1.91149371772E-01 1.61286134837E-01 1.32992439144E-01 1.06057798766E-01 8.03886082643E-02 5.63906471421E-02 3.50402094970E-02 1.75709739408E-02 4.92985836016E-03 -2.69247945483E-03 -5.99008659154E-03 -6.27540104266E-03 -4.99690532389E-03 -3.30967296437E-03 -1.87856131273E-03 -9.23444911133E-04 -3.93985974819E-04 -1.45544931934E-04 -4.63083608888E-05 -1.25963143925E-05 -2.90249554239E-06 -5.60526970851E-07 -8.96267958888E-08 -1.17054478100E-08 -1.22998126215E-09 -1.02270744405E-10 -6.60718106961E-12 -3.25067688318E-13 -1.19421310885E-14 -3.31836591538E-16 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 3 Number of nonzero Dij 1 1 1.06705155061E+00 2 2 2.81753802275E+00 3 3 1.80949883123E+01 6S 0 2.00 Wavefunction 5.05985340000E-06 5.27953230000E-06 5.50874880000E-06 5.74791700000E-06 5.99746890000E-06 6.25785530000E-06 6.52954670000E-06 6.81303390000E-06 7.10882900000E-06 7.41746640000E-06 7.73950350000E-06 8.07552230000E-06 8.42612970000E-06 8.79195910000E-06 9.17367130000E-06 9.57195600000E-06 9.98753260000E-06 1.04211520000E-05 1.08735970000E-05 1.13456860000E-05 1.18382710000E-05 1.23522430000E-05 1.28885280000E-05 1.34480980000E-05 1.40319610000E-05 1.46411740000E-05 1.52768360000E-05 1.59400960000E-05 1.66321530000E-05 1.73542560000E-05 1.81077090000E-05 1.88938750000E-05 1.97141730000E-05 2.05700860000E-05 2.14631580000E-05 2.23950050000E-05 2.33673080000E-05 2.43818260000E-05 2.54403900000E-05 2.65449130000E-05 2.76973890000E-05 2.88999030000E-05 3.01546240000E-05 3.14638210000E-05 3.28298590000E-05 3.42552050000E-05 3.57424340000E-05 3.72942330000E-05 3.89134060000E-05 4.06028780000E-05 4.23657000000E-05 4.42050580000E-05 4.61242740000E-05 4.81268160000E-05 5.02163020000E-05 5.23965060000E-05 5.46713670000E-05 5.70449950000E-05 5.95216790000E-05 6.21058930000E-05 6.48023050000E-05 6.76157880000E-05 7.05514240000E-05 7.36145170000E-05 7.68106010000E-05 8.01454520000E-05 8.36250930000E-05 8.72558120000E-05 9.10441690000E-05 9.49970100000E-05 9.91214750000E-05 1.03425020000E-04 1.07915410000E-04 1.12600780000E-04 1.17489580000E-04 1.22590640000E-04 1.27913190000E-04 1.33466850000E-04 1.39261650000E-04 1.45308060000E-04 1.51617010000E-04 1.58199910000E-04 1.65068640000E-04 1.72235640000E-04 1.79713850000E-04 1.87516780000E-04 1.95658560000E-04 2.04153890000E-04 2.13018140000E-04 2.22267330000E-04 2.31918190000E-04 2.41988180000E-04 2.52495500000E-04 2.63459170000E-04 2.74899010000E-04 2.86835730000E-04 2.99290930000E-04 3.12287130000E-04 3.25847880000E-04 3.39997720000E-04 3.54762280000E-04 3.70168280000E-04 3.86243650000E-04 4.03017510000E-04 4.20520250000E-04 4.38783620000E-04 4.57840740000E-04 4.77726170000E-04 4.98476010000E-04 5.20127930000E-04 5.42721260000E-04 5.66297050000E-04 5.90898180000E-04 6.16569400000E-04 6.43357430000E-04 6.71311090000E-04 7.00481320000E-04 7.30921350000E-04 7.62686760000E-04 7.95835600000E-04 8.30428530000E-04 8.66528910000E-04 9.04202950000E-04 9.43519810000E-04 9.84551810000E-04 1.02737450000E-03 1.07206690000E-03 1.11871170000E-03 1.16739510000E-03 1.21820770000E-03 1.27124380000E-03 1.32660240000E-03 1.38438710000E-03 1.44470630000E-03 1.50767350000E-03 1.57340760000E-03 1.64203330000E-03 1.71368130000E-03 1.78848850000E-03 1.86659880000E-03 1.94816300000E-03 2.03333980000E-03 2.12229550000E-03 2.21520540000E-03 2.31225350000E-03 2.41363380000E-03 2.51955060000E-03 2.63021910000E-03 2.74586650000E-03 2.86673280000E-03 2.99307130000E-03 3.12515040000E-03 3.26325410000E-03 3.40768340000E-03 3.55875790000E-03 3.71681720000E-03 3.88222260000E-03 4.05535890000E-03 4.23663680000E-03 4.42649500000E-03 4.62540280000E-03 4.83386330000E-03 5.05241630000E-03 5.28164230000E-03 5.52216660000E-03 5.77466360000E-03 6.03986230000E-03 6.31855210000E-03 6.61158930000E-03 6.91990470000E-03 7.24451170000E-03 7.58651590000E-03 7.94712600000E-03 8.32766550000E-03 8.72958670000E-03 9.15448610000E-03 9.60412210000E-03 1.00804350000E-02 1.05855690000E-02 1.11219000000E-02 1.16920610000E-02 1.22989800000E-02 1.29459150000E-02 1.36364980000E-02 1.43747840000E-02 1.51653080000E-02 1.60131460000E-02 1.69239920000E-02 1.79042380000E-02 1.89610710000E-02 2.01025770000E-02 2.13378710000E-02 2.26772320000E-02 2.41322640000E-02 2.57160820000E-02 2.74435150000E-02 2.93313460000E-02 3.13985790000E-02 3.36667430000E-02 3.61602350000E-02 3.89067090000E-02 4.19375150000E-02 4.52881840000E-02 4.89989760000E-02 5.31154860000E-02 5.76893040000E-02 6.27787460000E-02 6.84496250000E-02 7.47760780000E-02 8.18414080000E-02 8.97389220000E-02 9.85727160000E-02 1.08458330000E-01 1.19523160000E-01 1.31906530000E-01 1.45759140000E-01 1.61241690000E-01 1.78522340000E-01 1.97772480000E-01 2.19160420000E-01 2.42842380000E-01 2.68950160000E-01 2.97575200000E-01 3.28748610000E-01 3.62417770000E-01 3.98420270000E-01 4.36457590000E-01 4.76071650000E-01 5.16628860000E-01 5.57316970000E-01 5.97160030000E-01 6.35055250000E-01 6.69832680000E-01 7.00334240000E-01 7.25503310000E-01 7.44472490000E-01 7.56634810000E-01 7.61686130000E-01 7.59631510000E-01 7.50756410000E-01 7.35570960000E-01 7.14740610000E-01 6.89017360000E-01 6.59182600000E-01 6.26007180000E-01 5.90228580000E-01 5.52541220000E-01 5.13594200000E-01 4.73991620000E-01 4.34292440000E-01 3.95008610000E-01 3.56601860000E-01 3.19479850000E-01 2.83992640000E-01 2.50430160000E-01 2.19020930000E-01 1.89932350000E-01 1.63272400000E-01 1.39092820000E-01 1.17393360000E-01 9.81272150000E-02 8.12071140000E-02 6.65120620000E-02 5.38943370000E-02 4.31865550000E-02 3.42085600000E-02 2.67739090000E-02 2.06957600000E-02 1.57920060000E-02 1.18895400000E-02 8.82758470000E-03 6.46005770000E-03 4.65702260000E-03 3.30527970000E-03 2.30821740000E-03 1.58505450000E-03 1.06962110000E-03 7.08829100000E-04 4.60971220000E-04 2.93973480000E-04 1.83700980000E-04 1.12391940000E-04 6.72688810000E-05 3.93519210000E-05 2.24796270000E-05 1.25274490000E-05 6.80368770000E-06 3.59723590000E-06 1.84944980000E-06 9.23472750000E-07 4.47169880000E-07 2.09789910000E-07 9.52356620000E-08 4.17724420000E-08 1.76765940000E-08 7.20507070000E-09 2.82415630000E-09 1.06266260000E-09 3.83149280000E-10 1.32126730000E-10 4.35051450000E-11 1.36991290000E-11 4.29041820000E-12 1.27650520000E-12 3.59993000000E-13 9.60073080000E-14 2.41545910000E-14 5.71848410000E-15 1.27057680000E-15 2.64218300000E-16 5.12764570000E-17 9.25898300000E-18 1.55074070000E-18 2.40119310000E-19 3.42568070000E-20 4.48697990000E-21 5.37572900000E-22 5.86833920000E-23 5.81344050000E-24 5.20428260000E-25 4.19167970000E-26 3.02358330000E-27 1.94394030000E-28 1.10841220000E-29 5.57587590000E-31 2.46125220000E-32 9.47906550000E-34 3.16642750000E-35 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 6P 1 2.00 Wavefunction 7.74717750000E-10 8.43448430000E-10 9.18276700000E-10 9.99743520000E-10 1.08843780000E-09 1.18500080000E-09 1.29013060000E-09 1.40458730000E-09 1.52919810000E-09 1.66486410000E-09 1.81256600000E-09 1.97337150000E-09 2.14844320000E-09 2.33904680000E-09 2.54656020000E-09 2.77248360000E-09 3.01845020000E-09 3.28623820000E-09 3.57778360000E-09 3.89519410000E-09 4.24076430000E-09 4.61699250000E-09 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