Generated using BHS code Author: BHS Generation date: 1982 Info: See Bachelet-Hamann-Schlueter paper: PRB26, 4199 (1982) 0 The Pseudo was generated with a Non-Relativistic Calculation 0.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000 3P 0 1 0.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number Mg Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 2.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 0 Max angular momentum component 425 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 0.00 1.52630324073E-03 1.56494179122E-03 1.60455848128E-03 1.64517807262E-03 1.68682595382E-03 1.72952815614E-03 1.77331136986E-03 1.81820296092E-03 1.86423098801E-03 1.91142422016E-03 1.95981215467E-03 2.00942503557E-03 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2.66254353588E-02 2.73016560916E-02 2.79951648941E-02 2.87064122537E-02 2.94358614883E-02 3.01839879602E-02 3.09512805860E-02 3.17382421965E-02 3.25453895105E-02 3.33732534877E-02 3.42223800618E-02 3.50933308706E-02 3.59866828324E-02 3.69030307798E-02 3.78429847319E-02 3.88071740462E-02 3.97962446793E-02 4.08108614122E-02 4.18517089218E-02 4.29194978129E-02 4.40149492199E-02 4.51388061746E-02 4.62918487885E-02 4.74748635088E-02 4.86886697483E-02 4.99341082347E-02 5.12120484738E-02 5.25233808801E-02 5.38690280155E-02 5.52499443182E-02 5.66671119741E-02 5.81215329296E-02 5.96142591080E-02 6.11463652090E-02 6.27189597061E-02 6.43331919531E-02 6.59902439348E-02 6.76913410579E-02 6.94377399229E-02 7.12307504060E-02 7.30717155866E-02 7.49620259615E-02 7.69031220562E-02 7.88964854257E-02 8.09436485952E-02 8.30462009915E-02 8.52057755630E-02 8.74240695437E-02 8.97028305780E-02 9.20438654672E-02 9.44490371278E-02 9.69202726326E-02 9.94595670184E-02 1.02068971365E-01 1.04750607067E-01 1.07506656641E-01 1.10339384382E-01 1.13251106737E-01 1.16244222868E-01 1.19321194761E-01 1.22484553016E-01 1.25736901504E-01 1.29080909362E-01 1.32519316829E-01 1.36054924323E-01 1.39690595032E-01 1.43429244207E-01 1.47273849117E-01 1.51227418765E-01 1.55293017866E-01 1.59473723602E-01 1.63772639796E-01 1.68192873558E-01 1.72737515700E-01 1.77409639537E-01 1.82212257404E-01 1.87148317238E-01 1.92220667223E-01 1.97432014403E-01 2.02784906498E-01 2.08281680175E-01 2.13924423692E-01 2.19714904800E-01 2.25654537300E-01 2.31744292730E-01 2.37984645000E-01 2.44375462259E-01 2.50915933028E-01 2.57604448437E-01 2.64438483322E-01 2.71414474500E-01 2.78527655287E-01 2.85771895198E-01 2.93139531758E-01 3.00621129571E-01 3.08205288044E-01 3.15878358870E-01 3.23624173160E-01 3.31423730645E-01 3.39254843052E-01 3.47091744333E-01 3.54904660362E-01 3.62659436871E-01 3.70316850314E-01 3.77832218065E-01 3.85154756358E-01 3.92226954560E-01 3.98983914161E-01 4.05352671298E-01 4.11251583264E-01 4.16589666474E-01 4.21265968073E-01 4.25169213690E-01 4.28177473301E-01 4.30158130452E-01 4.30968182187E-01 4.30455131088E-01 4.28458238497E-01 4.24810741735E-01 4.19342833218E-01 4.11885770361E-01 4.02277109821E-01 3.90367419873E-01 3.76028188265E-01 3.59161189847E-01 3.39709094511E-01 3.17666906399E-01 2.93093870928E-01 2.66125127644E-01 2.36982072616E-01 2.05980453650E-01 1.73534737477E-01 1.40157450078E-01 1.06452191021E-01 7.30992377435E-02 4.08331385211E-02 1.04124327127E-02 -1.74175741760E-02 -4.19669827173E-02 -6.26454699606E-02 -7.90046289100E-02 -9.07741956609E-02 -9.78877805460E-02 -1.00494389337E-01 -9.89531972913E-02 -9.38107445113E-02 -8.57618787601E-02 -7.55977830510E-02 -6.41462630795E-02 -5.22105962477E-02 -4.05134867887E-02 -2.96520259767E-02 -2.00679917205E-02 -1.20356627562E-02 -5.66693308393E-03 -9.31261208106E-04 2.31371381547E-03 4.28598935685E-03 5.24259346393E-03 5.44695513995E-03 5.14332536248E-03 4.53974181399E-03 3.79951321784E-03 3.04000366985E-03 2.33678618778E-03 1.73101138587E-03 1.23803518053E-03 8.55798788166E-04 5.72006169921E-04 3.69654543144E-04 2.30869458267E-04 1.39246805009E-04 8.10242478401E-05 4.54284907328E-05 2.45089063252E-05 1.27039699655E-05 6.31626367773E-06 3.00694184270E-06 1.36813343715E-06 5.93774253860E-07 2.45306518589E-07 9.62606139283E-08 3.57968755465E-08 1.25848460331E-08 4.17202291678E-09 1.30067197642E-09 3.80251145215E-10 1.03930709593E-10 2.64729969209E-11 6.26305557166E-12 1.37135744467E-12 2.76875462291E-13 5.13335331576E-14 8.70803717801E-15 1.35013311642E-15 1.85002779762E-16 2.24630980483E-17 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 1 Number of nonzero Dij 1 1 2.17710200589E+01 3S 0 2.00 Wavefunction 1.99521110000E-04 2.04572030000E-04 2.09750810000E-04 2.15060690000E-04 2.20505000000E-04 2.26087130000E-04 2.31810570000E-04 2.37678910000E-04 2.43695800000E-04 2.49865020000E-04 2.56190410000E-04 2.62675930000E-04 2.69325640000E-04 2.76143680000E-04 2.83134330000E-04 2.90301960000E-04 2.97651030000E-04 3.05186150000E-04 3.12912030000E-04 3.20833490000E-04 3.28955490000E-04 3.37283100000E-04 3.45821530000E-04 3.54576120000E-04 3.63552340000E-04 3.72755800000E-04 3.82192260000E-04 3.91867600000E-04 4.01787890000E-04 4.11959320000E-04 4.22388240000E-04 4.33081190000E-04 4.44044840000E-04 4.55286050000E-04 4.66811850000E-04 4.78629430000E-04 4.90746200000E-04 5.03169710000E-04 5.15907750000E-04 5.28968270000E-04 5.42359440000E-04 5.56089630000E-04 5.70167420000E-04 5.84601620000E-04 5.99401240000E-04 6.14575550000E-04 6.30134040000E-04 6.46086420000E-04 6.62442670000E-04 6.79213020000E-04 6.96407950000E-04 7.14038230000E-04 7.32114860000E-04 7.50649160000E-04 7.69652710000E-04 7.89137400000E-04 8.09115410000E-04 8.29599240000E-04 8.50601690000E-04 8.72135910000E-04 8.94215360000E-04 9.16853840000E-04 9.40065520000E-04 9.63864920000E-04 9.88266930000E-04 1.01328680000E-03 1.03894020000E-03 1.06524320000E-03 1.09221210000E-03 1.11986400000E-03 1.14821610000E-03 1.17728610000E-03 1.20709220000E-03 1.23765320000E-03 1.26898800000E-03 1.30111630000E-03 1.33405830000E-03 1.36783450000E-03 1.40246610000E-03 1.43797480000E-03 1.47438280000E-03 1.51171280000E-03 1.54998840000E-03 1.58923340000E-03 1.62947240000E-03 1.67073060000E-03 1.71303400000E-03 1.75640890000E-03 1.80088250000E-03 1.84648280000E-03 1.89323830000E-03 1.94117840000E-03 1.99033300000E-03 2.04073300000E-03 2.09241000000E-03 2.14539650000E-03 2.19972560000E-03 2.25543150000E-03 2.31254910000E-03 2.37111430000E-03 2.43116390000E-03 2.49273550000E-03 2.55586790000E-03 2.62060070000E-03 2.68697460000E-03 2.75503130000E-03 2.82481370000E-03 2.89636570000E-03 2.96973220000E-03 3.04495950000E-03 3.12209490000E-03 3.20118700000E-03 3.28228570000E-03 3.36544220000E-03 3.45070880000E-03 3.53813940000E-03 3.62778920000E-03 3.71971490000E-03 3.81397440000E-03 3.91062760000E-03 4.00973550000E-03 4.11136080000E-03 4.21556810000E-03 4.32242330000E-03 4.43199420000E-03 4.54435060000E-03 4.65956370000E-03 4.77770680000E-03 4.89885520000E-03 5.02308610000E-03 5.15047880000E-03 5.28111450000E-03 5.41507680000E-03 5.55245150000E-03 5.69332650000E-03 5.83779220000E-03 5.98594140000E-03 6.13786960000E-03 6.29367440000E-03 6.45345650000E-03 6.61731900000E-03 6.78536820000E-03 6.95771290000E-03 7.13446510000E-03 7.31573990000E-03 7.50165550000E-03 7.69233350000E-03 7.88789870000E-03 8.08847950000E-03 8.29420800000E-03 8.50522000000E-03 8.72165510000E-03 8.94365690000E-03 9.17137320000E-03 9.40495590000E-03 9.64456170000E-03 9.89035140000E-03 1.01424910000E-02 1.04011510000E-02 1.06665070000E-02 1.09387400000E-02 1.12180380000E-02 1.15045920000E-02 1.17985990000E-02 1.21002660000E-02 1.24098020000E-02 1.27274250000E-02 1.30533590000E-02 1.33878360000E-02 1.37310940000E-02 1.40833800000E-02 1.44449500000E-02 1.48160680000E-02 1.51970040000E-02 1.55880420000E-02 1.59894730000E-02 1.64015980000E-02 1.68247300000E-02 1.72591920000E-02 1.77053200000E-02 1.81634600000E-02 1.86339740000E-02 1.91172350000E-02 1.96136310000E-02 2.01235660000E-02 2.06474580000E-02 2.11857420000E-02 2.17388720000E-02 2.23073180000E-02 2.28915720000E-02 2.34921450000E-02 2.41095700000E-02 2.47444020000E-02 2.53972210000E-02 2.60686340000E-02 2.67592730000E-02 2.74698000000E-02 2.82009060000E-02 2.89533180000E-02 2.97277930000E-02 3.05251280000E-02 3.13461570000E-02 3.21917550000E-02 3.30628420000E-02 3.39603840000E-02 3.48853980000E-02 3.58389530000E-02 3.68221750000E-02 3.78362490000E-02 3.88824270000E-02 3.99620260000E-02 4.10764410000E-02 4.22271410000E-02 4.34156810000E-02 4.46437050000E-02 4.59129510000E-02 4.72252620000E-02 4.85825870000E-02 4.99869940000E-02 5.14406760000E-02 5.29459570000E-02 5.45053060000E-02 5.61213440000E-02 5.77968570000E-02 5.95348020000E-02 6.13383260000E-02 6.32107730000E-02 6.51557030000E-02 6.71769000000E-02 6.92783930000E-02 7.14644690000E-02 7.37396900000E-02 7.61089140000E-02 7.85773090000E-02 8.11503740000E-02 8.38339640000E-02 8.66343010000E-02 8.95580060000E-02 9.26121130000E-02 9.58040940000E-02 9.91418820000E-02 1.02633890000E-01 1.06289030000E-01 1.10116730000E-01 1.14126980000E-01 1.18330290000E-01 1.22737750000E-01 1.27361020000E-01 1.32212330000E-01 1.37304470000E-01 1.42650770000E-01 1.48265090000E-01 1.54161770000E-01 1.60355550000E-01 1.66861530000E-01 1.73695050000E-01 1.80871560000E-01 1.88406450000E-01 1.96314900000E-01 2.04611590000E-01 2.13310460000E-01 2.22424360000E-01 2.31964680000E-01 2.41940880000E-01 2.52360050000E-01 2.63226310000E-01 2.74540210000E-01 2.86298110000E-01 2.98491470000E-01 3.11106150000E-01 3.24121750000E-01 3.37510910000E-01 3.51238780000E-01 3.65262540000E-01 3.79531080000E-01 3.93984920000E-01 4.08556390000E-01 4.23170030000E-01 4.37743400000E-01 4.52188160000E-01 4.66411430000E-01 4.80317590000E-01 4.93810050000E-01 5.06793430000E-01 5.19175530000E-01 5.30869310000E-01 5.41794700000E-01 5.51879950000E-01 5.61062690000E-01 5.69290440000E-01 5.76520650000E-01 5.82720370000E-01 5.87865480000E-01 5.91939690000E-01 5.94933450000E-01 5.96842810000E-01 5.97668450000E-01 5.97414850000E-01 5.96089820000E-01 5.93704120000E-01 5.90271450000E-01 5.85808540000E-01 5.80335360000E-01 5.73875330000E-01 5.66455600000E-01 5.58107110000E-01 5.48864750000E-01 5.38767250000E-01 5.27857140000E-01 5.16180490000E-01 5.03786720000E-01 4.90728320000E-01 4.77060490000E-01 4.62840860000E-01 4.48129140000E-01 4.32986710000E-01 4.17476320000E-01 4.01661630000E-01 3.85606860000E-01 3.69376380000E-01 3.53034290000E-01 3.36644020000E-01 3.20267910000E-01 3.03966790000E-01 2.87799630000E-01 2.71823080000E-01 2.56091150000E-01 2.40654870000E-01 2.25561920000E-01 2.10856400000E-01 1.96578500000E-01 1.82764340000E-01 1.69445790000E-01 1.56650280000E-01 1.44400800000E-01 1.32715780000E-01 1.21609180000E-01 1.11090460000E-01 1.01164800000E-01 9.18331480000E-02 8.30924860000E-02 7.49360360000E-02 6.73535410000E-02 6.03315570000E-02 5.38537810000E-02 4.79013930000E-02 4.24534060000E-02 3.74870270000E-02 3.29780180000E-02 2.89010430000E-02 2.52300180000E-02 2.19384310000E-02 1.89996490000E-02 1.63872000000E-02 1.40750310000E-02 1.20377290000E-02 1.02507250000E-02 8.69045230000E-03 7.33448760000E-03 6.16165370000E-03 5.15209780000E-03 4.28734010000E-03 3.55029970000E-03 2.92529690000E-03 2.39803520000E-03 1.95556700000E-03 1.58624430000E-03 1.27965740000E-03 1.02656480000E-03 8.18816050000E-04 6.49270600000E-04 5.11713620000E-04 4.00781320000E-04 3.11953190000E-04 2.41277370000E-04 1.85404060000E-04 1.41522620000E-04 1.07290960000E-04 8.07710730000E-05 6.03708050000E-05 4.47916880000E-05 3.29826990000E-05 2.40996190000E-05 1.74696480000E-05 1.25609010000E-05 8.95633920000E-06 6.33171690000E-06 4.43710290000E-06 3.08154140000E-06 2.12044980000E-06 1.44536630000E-06 9.75694150000E-07 6.52121570000E-07 4.31432700000E-07 2.82458680000E-07 1.82952810000E-07 1.17205370000E-07 7.42436290000E-08 4.64889840000E-08 2.87668960000E-08 1.75856310000E-08 1.06172590000E-08 6.32882310000E-09 3.72357940000E-09 2.16180970000E-09 1.23840040000E-09 7.00352340000E-10 3.92000090000E-10 2.19213180000E-10 1.20759850000E-10 6.55071340000E-11 3.49780330000E-11 1.83767710000E-11 9.49580790000E-12 4.82392960000E-12 2.40818060000E-12 1.18087590000E-12 5.68525220000E-13 2.68610920000E-13 1.24485600000E-13 5.65618960000E-14 2.51837650000E-14 1.09821190000E-14 4.68804550000E-15 1.95795700000E-15 3P 1 0.00 Wavefunction 2.91543910000E-07 3.06491680000E-07 3.22205850000E-07 3.38725690000E-07 3.56092530000E-07 3.74349780000E-07 3.93543100000E-07 4.13720480000E-07 4.34932380000E-07 4.57231840000E-07 4.80674610000E-07 5.05319320000E-07 5.31227590000E-07 5.58464200000E-07 5.87097270000E-07 6.17198380000E-07 6.48842810000E-07 6.82109690000E-07 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