Generated using ld1 code Author: E.Menendez-Proupin Generation date: 1/5/2005 Info: Bi 6s2 6p2 5d10 for spd, 6s2 6p2 5d10 5f1 for f: lloc=1; PBE; MT 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 1.79000000000 0.00000000000 0.00000000000 6P 0 1 3.00 2.30000000000 0.00000000000 0.00000000000 5D 0 2 10.00 1.88000000000 0.00000000000 0.00000000000 5F 0 3 0.00 2.41000000000 0.00000000000 0.00000000000 0 Version Number Bi Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 15.00000000000 Z valence 0.00000000000 Total energy 80.0000000 360.00000 Suggested cutoff for wfc and rho (Ry) 3 Max angular momentum component 331 Number of points in mesh 4 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 6S 0 2.00 6P 1 3.00 5D 2 10.00 5F 3 0.00 4.04171840846E-06 4.24894174251E-06 4.46678964409E-06 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1.39802610000E-03 1.46971560000E-03 1.54508240000E-03 1.62431550000E-03 1.70761340000E-03 1.79518490000E-03 1.88724960000E-03 1.98403840000E-03 2.08579400000E-03 2.19277190000E-03 2.30524070000E-03 2.42348290000E-03 2.54779550000E-03 2.67849120000E-03 2.81589860000E-03 2.96036380000E-03 3.11225060000E-03 3.27194190000E-03 3.43984060000E-03 3.61637080000E-03 3.80197870000E-03 3.99713410000E-03 4.20233150000E-03 4.41809180000E-03 4.64496320000E-03 4.88352330000E-03 5.13438080000E-03 5.39817660000E-03 5.67558680000E-03 5.96732360000E-03 6.27413840000E-03 6.59682390000E-03 6.93621630000E-03 7.29319850000E-03 7.66870300000E-03 8.06371510000E-03 8.47927630000E-03 8.91648810000E-03 9.37651640000E-03 9.86059610000E-03 1.03700360000E-02 1.09062230000E-02 1.14706320000E-02 1.20648270000E-02 1.26904740000E-02 1.33493460000E-02 1.40433330000E-02 1.47744510000E-02 1.55448570000E-02 1.63568590000E-02 1.72129310000E-02 1.81157290000E-02 1.90681120000E-02 2.00731610000E-02 2.11342010000E-02 2.22548350000E-02 2.34389660000E-02 2.46908420000E-02 2.60150900000E-02 2.74167670000E-02 2.89014100000E-02 3.04751050000E-02 3.21445540000E-02 3.39171610000E-02 3.58011280000E-02 3.78055700000E-02 3.99406440000E-02 4.22177060000E-02 4.46494880000E-02 4.72503090000E-02 5.00363240000E-02 5.30258090000E-02 5.62395050000E-02 5.97010170000E-02 6.34372880000E-02 6.74791570000E-02 7.18620130000E-02 7.66265750000E-02 8.18198030000E-02 8.74959800000E-02 9.37179720000E-02 1.00558710000E-01 1.08102930000E-01 1.16449100000E-01 1.25711780000E-01 1.36024060000E-01 1.47540350000E-01 1.60439250000E-01 1.74926290000E-01 1.91236260000E-01 2.09634360000E-01 2.30415320000E-01 2.53898900000E-01 2.80419500000E-01 3.10306890000E-01 3.43853790000E-01 3.81265580000E-01 4.22587460000E-01 4.67606280000E-01 5.15730780000E-01 5.65865520000E-01 6.16313850000E-01 6.64769000000E-01 7.08470540000E-01 7.44589230000E-01 7.70820430000E-01 7.85978210000E-01 7.90091080000E-01 7.83777190000E-01 7.67882360000E-01 7.43422190000E-01 7.11539980000E-01 6.73465410000E-01 6.30474330000E-01 5.83850160000E-01 5.34847990000E-01 4.84661270000E-01 4.34393960000E-01 3.85037110000E-01 3.37451060000E-01 2.92353150000E-01 2.50310820000E-01 2.11739670000E-01 1.76906320000E-01 1.45936160000E-01 1.18825740000E-01 9.54598040000E-02 7.56319080000E-02 5.90672230000E-02 4.54455520000E-02 3.44227900000E-02 2.56494100000E-02 1.87852290000E-02 1.35103420000E-02 9.53257460000E-03 6.59203420000E-03 4.46332300000E-03 2.95587200000E-03 1.91272830000E-03 1.20809970000E-03 7.43978970000E-04 4.46204000000E-04 2.60317340000E-04 1.47544350000E-04 8.11356850000E-05 4.32270690000E-05 2.22791020000E-05 1.10905900000E-05 5.32309840000E-06 2.46073760000E-06 1.09406330000E-06 4.66437420000E-07 1.90170180000E-07 7.39882650000E-08 2.74013140000E-08 9.63462150000E-09 3.20715580000E-09 1.00795200000E-09 2.97562150000E-10 8.17421330000E-11 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 0.00000000000E+00 6P 1 3.00 Wavefunction 2.23682720000E-12 2.47207630000E-12 2.73206690000E-12 3.01940090000E-12 3.33695400000E-12 3.68790450000E-12 4.07576480000E-12 4.50441680000E-12 4.97815040000E-12 5.50170710000E-12 6.08032670000E-12 6.71980020000E-12 7.42652780000E-12 8.20758250000E-12 9.07078150000E-12 1.00247640000E-11 1.10790780000E-11 1.22442740000E-11 1.35320160000E-11 1.49551900000E-11 1.65280410000E-11 1.82663110000E-11 2.01873950000E-11 2.23105220000E-11 2.46569400000E-11 2.72501340000E-11 3.01160550000E-11 3.32833880000E-11 3.67838330000E-11 4.06524220000E-11 4.49278750000E-11 4.96529810000E-11 5.48750300000E-11 6.06462880000E-11 6.70245130000E-11 7.40735430000E-11 8.18639250000E-11 9.04736300000E-11 9.99888240000E-11 1.10504740000E-10 1.22126630000E-10 1.34970800000E-10 1.49165800000E-10 1.64853700000E-10 1.82191520000E-10 2.01352770000E-10 2.22529220000E-10 2.45932820000E-10 2.71797800000E-10 3.00383030000E-10 3.31974590000E-10 3.66888660000E-10 4.05474680000E-10 4.48118820000E-10 4.95247890000E-10 5.47333560000E-10 6.04897140000E-10 6.68514720000E-10 7.38823030000E-10 8.16525730000E-10 9.02400490000E-10 9.97306780000E-10 1.10219440000E-09 1.21811320000E-09 1.34622330000E-09 1.48780690000E-09 1.64428090000E-09 1.81721140000E-09 2.00832920000E-09 2.21954710000E-09 2.45297890000E-09 2.71096090000E-09 2.99607510000E-09 3.31117510000E-09 3.65941440000E-09 4.04427840000E-09 4.46961890000E-09 4.93969280000E-09 5.45920490000E-09 6.03335450000E-09 6.66788790000E-09 7.36915580000E-09 8.14417670000E-09 9.00070720000E-09 9.94731990000E-09 1.09934890000E-08 1.21496840000E-08 1.34274770000E-08 1.48396580000E-08 1.64003580000E-08 1.81251990000E-08 2.00314430000E-08 2.21381680000E-08 2.44664590000E-08 2.70396190000E-08 2.98834010000E-08 3.30262660000E-08 3.64996690000E-08 4.03383730000E-08 4.45807970000E-08 4.92694000000E-08 5.44511090000E-08 6.01777820000E-08 6.65067360000E-08 7.35013110000E-08 8.12315120000E-08 8.97747050000E-08 9.92163950000E-08 1.09651080000E-07 1.21183180000E-07 1.33928130000E-07 1.48013480000E-07 1.63580190000E-07 1.80784080000E-07 1.99797310000E-07 2.20810180000E-07 2.44033000000E-07 2.69698180000E-07 2.98062600000E-07 3.29410130000E-07 3.64054510000E-07 4.02342480000E-07 4.44657230000E-07 4.91422270000E-07 5.43105640000E-07 6.00224600000E-07 6.63350830000E-07 7.33116110000E-07 8.10218680000E-07 8.95430230000E-07 9.89603570000E-07 1.09368120000E-06 1.20870490000E-06 1.33582570000E-06 1.47631600000E-06 1.63158180000E-06 1.80317720000E-06 1.99281940000E-06 2.20240670000E-06 2.43403660000E-06 2.69002730000E-06 2.97294100000E-06 3.28560930000E-06 3.63116150000E-06 4.01305600000E-06 4.43511530000E-06 4.90156340000E-06 5.41706890000E-06 5.98679140000E-06 6.61643320000E-06 7.31229610000E-06 8.08134500000E-06 8.93127730000E-06 9.87060000000E-06 1.09087150000E-05 1.20560120000E-05 1.33239760000E-05 1.47252970000E-05 1.62740030000E-05 1.79855950000E-05 1.98772050000E-05 2.19677680000E-05 2.42782110000E-05 2.68316610000E-05 2.96536800000E-05 3.27725170000E-05 3.62193940000E-05 4.00288190000E-05 4.42389270000E-05 4.88918700000E-05 5.40342320000E-05 5.97175010000E-05 6.59985820000E-05 7.29403690000E-05 8.06123740000E-05 8.90914290000E-05 9.84624500000E-05 1.08819290000E-04 1.20265700000E-04 1.32916330000E-04 1.46897920000E-04 1.62350550000E-04 1.79429070000E-04 1.98304630000E-04 2.19166430000E-04 2.42223580000E-04 2.67707280000E-04 2.95873080000E-04 3.27003480000E-04 3.61410810000E-04 3.99440350000E-04 4.41473840000E-04 4.87933340000E-04 5.39285520000E-04 5.96046380000E-04 6.58786510000E-04 7.28136900000E-04 8.04795370000E-04 8.89533730000E-04 9.83205650000E-04 1.08675550000E-03 1.20122780000E-03 1.32777870000E-03 1.46768700000E-03 1.62236820000E-03 1.79338890000E-03 1.98248360000E-03 2.19157240000E-03 2.42278190000E-03 2.67846740000E-03 2.96123850000E-03 3.27398700000E-03 3.61991860000E-03 4.00258760000E-03 4.42593670000E-03 4.89434060000E-03 5.41265560000E-03 5.98627490000E-03 6.62119080000E-03 7.32406510000E-03 8.10230770000E-03 8.96416660000E-03 9.91882820000E-03 1.09765320000E-02 1.21487020000E-02 1.34480920000E-02 1.48889560000E-02 1.64872420000E-02 1.82608070000E-02 2.02296780000E-02 2.24163320000E-02 2.48460350000E-02 2.75472210000E-02 3.05519360000E-02 3.38963380000E-02 3.76212800000E-02 4.17729770000E-02 4.64037610000E-02 5.15729440000E-02 5.73477840000E-02 6.38045540000E-02 7.10297160000E-02 7.91211420000E-02 8.81893680000E-02 9.83587470000E-02 1.09768370000E-01 1.22572530000E-01 1.36940290000E-01 1.53053760000E-01 1.71104230000E-01 1.91285280000E-01 2.13781510000E-01 2.38751620000E-01 2.66304160000E-01 2.96464960000E-01 3.29136020000E-01 3.64048050000E-01 4.00711940000E-01 4.38379790000E-01 4.76031020000E-01 5.12402950000E-01 5.46082630000E-01 5.75663920000E-01 5.99947690000E-01 6.18127290000E-01 6.29872150000E-01 6.35231240000E-01 6.34431690000E-01 6.27796710000E-01 6.15731980000E-01 5.98714200000E-01 5.77279260000E-01 5.52010200000E-01 5.23525100000E-01 4.92464760000E-01 4.59479680000E-01 4.25215810000E-01 3.90299030000E-01 3.55318150000E-01 3.20808790000E-01 2.87239860000E-01 2.55004870000E-01 2.24419180000E-01 1.95723100000E-01 1.69089310000E-01 1.44632160000E-01 1.22416700000E-01 1.02465400000E-01 8.47621850000E-02 6.92543790000E-02 5.58541060000E-02 4.44407110000E-02 3.48651000000E-02 2.69561110000E-02 2.05283080000E-02 1.53903040000E-02 1.13526710000E-02 8.23475570000E-03 5.86993930000E-03 4.10921030000E-03 2.82306180000E-03 1.90209550000E-03 1.25581240000E-03 8.12863860000E-04 5.15312020000E-04 3.19133790000E-04 1.92796000000E-04 1.13497020000E-04 6.50205040000E-05 3.61978340000E-05 1.95539690000E-05 1.02335380000E-05 5.18007690000E-06 2.53167140000E-06 1.19244490000E-06 5.40234810000E-07 2.34935430000E-07 9.78543280000E-08 3.89491300000E-08 1.47689320000E-08 5.31355190000E-09 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 5D 2 10.00 Wavefunction 2.87907320000E-16 3.34500580000E-16 3.88634230000E-16 4.51528550000E-16 5.24601340000E-16 6.09499800000E-16 7.08137730000E-16 8.22738670000E-16 9.55885960000E-16 1.11058100000E-15 1.29031110000E-15 1.49912760000E-15 1.74173780000E-15 2.02361060000E-15 2.35110010000E-15 2.73158860000E-15 3.17365310000E-15 3.68725890000E-15 4.28398360000E-15 4.97727890000E-15 5.78277300000E-15 6.71862370000E-15 7.80592710000E-15 9.06919340000E-15 1.05368990000E-14 1.22421310000E-14 1.42233270000E-14 1.65251480000E-14 1.91994830000E-14 2.23066160000E-14 2.59165910000E-14 3.01107830000E-14 3.49837380000E-14 4.06453050000E-14 4.72231070000E-14 5.48654230000E-14 6.37445270000E-14 7.40605750000E-14 8.60461120000E-14 9.99713190000E-14 1.16150100000E-13 1.34947170000E-13 1.56786240000E-13 1.82159620000E-13 2.11639280000E-13 2.45889770000E-13 2.85683150000E-13 3.31916470000E-13 3.85631920000E-13 4.48040370000E-13 5.20548640000E-13 6.04791230000E-13 7.02667160000E-13 8.16382770000E-13 9.48501460000E-13 1.10200150000E-12 1.28034300000E-12 1.48754640000E-12 1.72828230000E-12 2.00797760000E-12 2.33293710000E-12 2.71048620000E-12 3.14913570000E-12 3.65877370000E-12 4.25088860000E-12 4.93882790000E-12 5.73809940000E-12 6.66672030000E-12 7.74562400000E-12 8.99913110000E-12 1.04554990000E-11 1.21475560000E-11 1.41134470000E-11 1.63974860000E-11 1.90511600000E-11 2.21342910000E-11 2.57163770000E-11 2.98781670000E-11 3.47134770000E-11 4.03313060000E-11 4.68582920000E-11 5.44415680000E-11 6.32520770000E-11 7.34884290000E-11 8.53813720000E-11 9.91990010000E-11 1.15252790000E-10 1.33904640000E-10 1.55575000000E-10 1.80752350000E-10 2.10004270000E-10 2.43990150000E-10 2.83476100000E-10 3.29352240000E-10 3.82652700000E-10 4.44578990000E-10 5.16527080000E-10 6.00118830000E-10 6.97238570000E-10 8.10075620000E-10 9.41173540000E-10 1.09348760000E-09 1.27045130000E-09 1.47605370000E-09 1.71492960000E-09 1.99246380000E-09 2.31491240000E-09 2.68954430000E-09 3.12480430000E-09 3.63050420000E-09 4.21804350000E-09 4.90066670000E-09 5.69376150000E-09 6.61520590000E-09 7.68577120000E-09 8.92959020000E-09 1.03747010000E-08 1.20536800000E-08 1.40043740000E-08 1.62707560000E-08 1.89039150000E-08 2.19632070000E-08 2.55175950000E-08 2.96472010000E-08 3.44451150000E-08 4.00194910000E-08 4.64959840000E-08 5.40205880000E-08 6.27629190000E-08 7.29200450000E-08 8.47209230000E-08 9.84315640000E-08 1.14361030000E-07 1.32868380000E-07 1.54370810000E-07 1.79353010000E-07 2.08378100000E-07 2.42100340000E-07 2.81279860000E-07 3.26799800000E-07 3.79686190000E-07 4.41131140000E-07 5.12519610000E-07 5.95460720000E-07 6.91823930000E-07 8.03781250000E-07 9.33856090000E-07 1.08498020000E-06 1.26055980000E-06 1.46455210000E-06 1.70155450000E-06 1.97690870000E-06 2.29682010000E-06 2.66849850000E-06 3.10031980000E-06 3.60201520000E-06 4.18489000000E-06 4.86207840000E-06 5.64883920000E-06 6.56289930000E-06 7.62485270000E-06 8.85862450000E-06 1.02920090000E-05 1.19572940000E-05 1.38919900000E-05 1.61396720000E-05 1.87509590000E-05 2.17846520000E-05 2.53090590000E-05 2.94035240000E-05 3.41602140000E-05 3.96861860000E-05 4.61057900000E-05 5.35634610000E-05 6.22269510000E-05 7.22910970000E-05 8.39821750000E-05 9.75629720000E-05 1.13338660000E-04 1.31663590000E-04 1.52949270000E-04 1.77673460000E-04 2.06390840000E-04 2.39745390000E-04 2.78484640000E-04 3.23476250000E-04 3.75727280000E-04 4.36406360000E-04 5.06869520000E-04 5.88689970000E-04 6.83692670000E-04 7.93994180000E-04 9.22048890000E-04 1.07070230000E-03 1.24325250000E-03 1.44352150000E-03 1.67593690000E-03 1.94562630000E-03 2.25852610000E-03 2.62150620000E-03 3.04251400000E-03 3.53073820000E-03 4.09679770000E-03 4.75295720000E-03 5.51337270000E-03 6.39437180000E-03 7.41477160000E-03 8.59623880000E-03 9.96369680000E-03 1.15457830000E-02 1.33753610000E-02 1.54900940000E-02 1.79330740000E-02 2.07535220000E-02 2.40075470000E-02 2.77589670000E-02 3.20801860000E-02 3.70531120000E-02 4.27701080000E-02 4.93349340000E-02 5.68636590000E-02 6.54854820000E-02 7.53433960000E-02 8.65946090000E-02 9.94105950000E-02 1.13976650000E-01 1.30490720000E-01 1.49161380000E-01 1.70204600000E-01 1.93838990000E-01 2.20279340000E-01 2.49727910000E-01 2.82363180000E-01 3.18325790000E-01 3.57701400000E-01 4.00500350000E-01 4.46634540000E-01 4.95891930000E-01 5.47910070000E-01 6.02150380000E-01 6.57876070000E-01 7.14137190000E-01 7.69767290000E-01 8.23396480000E-01 8.73485760000E-01 9.18386110000E-01 9.56423930000E-01 9.86010310000E-01 1.00576700000E+00 1.01465650000E+00 1.01209810000E+00 9.98050780000E-01 9.73042680000E-01 9.38135040000E-01 8.94818390000E-01 8.44852700000E-01 7.90077370000E-01 7.32227370000E-01 6.72796100000E-01 6.12980440000E-01 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