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 2S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000 2P 0 1 1.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number B Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 3.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 0 Max angular momentum component 389 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 1.00 3.66312777775E-03 3.75586029894E-03 3.85094035508E-03 3.94842737430E-03 4.04838228916E-03 4.15086757474E-03 4.25594728768E-03 4.36368710621E-03 4.47415437123E-03 4.58741812839E-03 4.70354917120E-03 4.82262008536E-03 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-1.99824408727E-03 -1.51238106638E-03 -1.09897807916E-03 -7.65508128387E-04 -5.10558652950E-04 -3.25736945792E-04 -1.98624445552E-04 -1.15651682686E-04 -6.42392291686E-05 -3.40019189674E-05 -1.71287583692E-05 -8.20093154187E-06 -3.72594008948E-06 -1.60356015441E-06 -6.52484957996E-07 -2.50476410102E-07 -9.05033407390E-08 -3.07021741073E-08 -9.75215861106E-09 -2.89198006459E-09 -7.98185955852E-10 -2.04358934509E-10 -4.83666613212E-11 -1.05427090125E-11 -2.10829086855E-12 -3.85168234149E-13 -6.40416795328E-14 -9.66913665579E-15 -1.32643871886E-15 -1.37454228000E-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 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 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 1.86067037446E+00 2S 0 2.00 Wavefunction 1.44993490000E-03 1.48664090000E-03 1.52427630000E-03 1.56286450000E-03 1.60242960000E-03 1.64299640000E-03 1.68459020000E-03 1.72723710000E-03 1.77096360000E-03 1.81579730000E-03 1.86176600000E-03 1.90889850000E-03 1.95722430000E-03 2.00677370000E-03 2.05757760000E-03 2.10966770000E-03 2.16307670000E-03 2.21783790000E-03 2.27398560000E-03 2.33155490000E-03 2.39058190000E-03 2.45110330000E-03 2.51315720000E-03 2.57678230000E-03 2.64201840000E-03 2.70890620000E-03 2.77748780000E-03 2.84780590000E-03 2.91990450000E-03 2.99382880000E-03 3.06962510000E-03 3.14734060000E-03 3.22702420000E-03 3.30872560000E-03 3.39249590000E-03 3.47838770000E-03 3.56645460000E-03 3.65675180000E-03 3.74933590000E-03 3.84426470000E-03 3.94159770000E-03 4.04139590000E-03 4.14372180000E-03 4.24863940000E-03 4.35621450000E-03 4.46651440000E-03 4.57960830000E-03 4.69556700000E-03 4.81446320000E-03 4.93637140000E-03 5.06136810000E-03 5.18953150000E-03 5.32094200000E-03 5.45568210000E-03 5.59383620000E-03 5.73549110000E-03 5.88073560000E-03 6.02966090000E-03 6.18236040000E-03 6.33893000000E-03 6.49946810000E-03 6.66407540000E-03 6.83285550000E-03 7.00591430000E-03 7.18336070000E-03 7.36530620000E-03 7.55186540000E-03 7.74315550000E-03 7.93929710000E-03 8.14041350000E-03 8.34663150000E-03 8.55808110000E-03 8.77489540000E-03 8.99721140000E-03 9.22516920000E-03 9.45891280000E-03 9.69858980000E-03 9.94435160000E-03 1.01963540000E-02 1.04547560000E-02 1.07197210000E-02 1.09914170000E-02 1.12700160000E-02 1.15556960000E-02 1.18486370000E-02 1.21490260000E-02 1.24570530000E-02 1.27729150000E-02 1.30968130000E-02 1.34289530000E-02 1.37695470000E-02 1.41188140000E-02 1.44769760000E-02 1.48442620000E-02 1.52209090000E-02 1.56071580000E-02 1.60032580000E-02 1.64094630000E-02 1.68260350000E-02 1.72532440000E-02 1.76913650000E-02 1.81406830000E-02 1.86014900000E-02 1.90740840000E-02 1.95587750000E-02 2.00558780000E-02 2.05657190000E-02 2.10886320000E-02 2.16249610000E-02 2.21750610000E-02 2.27392940000E-02 2.33180340000E-02 2.39116660000E-02 2.45205870000E-02 2.51452030000E-02 2.57859330000E-02 2.64432100000E-02 2.71174780000E-02 2.78091930000E-02 2.85188290000E-02 2.92468690000E-02 2.99938150000E-02 3.07601830000E-02 3.15465040000E-02 3.23533260000E-02 3.31812160000E-02 3.40307570000E-02 3.49025510000E-02 3.57972200000E-02 3.67154070000E-02 3.76577740000E-02 3.86250080000E-02 3.96178170000E-02 4.06369350000E-02 4.16831190000E-02 4.27571550000E-02 4.38598540000E-02 4.49920590000E-02 4.61546400000E-02 4.73485030000E-02 4.85745840000E-02 4.98338560000E-02 5.11273280000E-02 5.24560500000E-02 5.38211100000E-02 5.52236410000E-02 5.66648220000E-02 5.81458790000E-02 5.96680870000E-02 6.12327780000E-02 6.28413380000E-02 6.44952130000E-02 6.61959120000E-02 6.79450120000E-02 6.97441580000E-02 7.15950740000E-02 7.34995580000E-02 7.54594980000E-02 7.74768650000E-02 7.95537300000E-02 8.16922610000E-02 8.38947330000E-02 8.61635350000E-02 8.85011770000E-02 9.09102940000E-02 9.33936580000E-02 9.59541840000E-02 9.85949420000E-02 1.01319160000E-01 1.04130250000E-01 1.07031780000E-01 1.10027550000E-01 1.13121530000E-01 1.16317920000E-01 1.19621170000E-01 1.23035950000E-01 1.26567190000E-01 1.30220110000E-01 1.34000190000E-01 1.37913230000E-01 1.41965340000E-01 1.46162970000E-01 1.50512920000E-01 1.55022340000E-01 1.59698760000E-01 1.64550110000E-01 1.69584720000E-01 1.74811330000E-01 1.80239100000E-01 1.85877640000E-01 1.91736970000E-01 1.97827550000E-01 2.04160270000E-01 2.10746400000E-01 2.17597630000E-01 2.24725990000E-01 2.32143840000E-01 2.39863770000E-01 2.47898570000E-01 2.56261110000E-01 2.64964260000E-01 2.74020700000E-01 2.83442800000E-01 2.93242380000E-01 3.03430480000E-01 3.14017110000E-01 3.25010870000E-01 3.36418610000E-01 3.48245020000E-01 3.60492100000E-01 3.73158700000E-01 3.86239900000E-01 3.99726450000E-01 4.13604130000E-01 4.27853110000E-01 4.42447340000E-01 4.57354000000E-01 4.72533010000E-01 4.87936700000E-01 5.03509550000E-01 5.19188270000E-01 5.34902020000E-01 5.50572970000E-01 5.66117130000E-01 5.81445480000E-01 5.96465450000E-01 6.11082550000E-01 6.25202230000E-01 6.38731900000E-01 6.51582800000E-01 6.63671870000E-01 6.74923300000E-01 6.85269770000E-01 6.94653290000E-01 7.03025520000E-01 7.10347690000E-01 7.16590130000E-01 7.21731390000E-01 7.25757270000E-01 7.28659650000E-01 7.30435450000E-01 7.31085700000E-01 7.30614810000E-01 7.29030100000E-01 7.26341640000E-01 7.22562160000E-01 7.17707240000E-01 7.11795530000E-01 7.04848970000E-01 6.96892970000E-01 6.87956570000E-01 6.78072450000E-01 6.67276880000E-01 6.55609580000E-01 6.43113580000E-01 6.29834900000E-01 6.15822400000E-01 6.01127410000E-01 5.85803510000E-01 5.69906210000E-01 5.53492640000E-01 5.36621300000E-01 5.19351700000E-01 5.01744070000E-01 4.83859080000E-01 4.65757460000E-01 4.47499750000E-01 4.29145970000E-01 4.10755290000E-01 3.92385740000E-01 3.74093930000E-01 3.55934750000E-01 3.37961080000E-01 3.20223570000E-01 3.02770330000E-01 2.85646750000E-01 2.68895290000E-01 2.52555240000E-01 2.36662610000E-01 2.21249960000E-01 2.06346270000E-01 1.91976900000E-01 1.78163470000E-01 1.64923890000E-01 1.52272290000E-01 1.40219140000E-01 1.28771230000E-01 1.17931800000E-01 1.07700670000E-01 9.80743420000E-02 8.90462190000E-02 8.06067700000E-02 7.27437590000E-02 6.54424680000E-02 5.86859530000E-02 5.24552960000E-02 4.67298740000E-02 4.14876280000E-02 3.67053370000E-02 3.23588840000E-02 2.84235180000E-02 2.48741100000E-02 2.16853920000E-02 1.88321850000E-02 1.62896090000E-02 1.40332730000E-02 1.20394470000E-02 1.02852120000E-02 8.74859000000E-03 7.40864490000E-03 6.24557150000E-03 5.24075590000E-03 4.37681850000E-03 3.63763680000E-03 3.00835060000E-03 2.47535080000E-03 2.02625370000E-03 1.64986300000E-03 1.33612110000E-03 1.07605160000E-03 8.61695190000E-04 6.86040930000E-04 5.42954050000E-04 4.27102500000E-04 3.33883380000E-04 2.59350460000E-04 2.00144160000E-04 1.53424530000E-04 1.16808090000E-04 8.83091330000E-05 6.62855430000E-05 4.93896480000E-05 3.65239010000E-05 2.68014540000E-05 1.95114140000E-05 1.40885480000E-05 1.00873520000E-05 7.16149790000E-06 5.04038950000E-06 3.51611040000E-06 2.43053160000E-06 1.66448600000E-06 1.12900610000E-06 7.58305820000E-07 5.04215850000E-07 3.31819720000E-07 2.16067260000E-07 1.39175610000E-07 8.86569430000E-08 5.58386720000E-08 3.47662690000E-08 2.13993620000E-08 1.30301230000E-08 7.86802710000E-09 4.74790400000E-09 2.82781270000E-09 1.66175850000E-09 9.63176910000E-10 5.50444630000E-10 3.10052590000E-10 1.72072730000E-10 9.40546900000E-11 5.06143000000E-11 2.68051840000E-11 1.39650080000E-11 7.15418270000E-12 3.60238700000E-12 1.78214310000E-12 8.65809200000E-13 4.12885760000E-13 1.93179610000E-13 8.86353140000E-14 3.98613050000E-14 1.75620480000E-14 7.57620680000E-15 3.19852610000E-15 1.32078440000E-15 5.33156180000E-16 2.10265390000E-16 8.09684820000E-17 3.04254240000E-17 1.11496340000E-17 3.98209910000E-18 1.38518600000E-18 4.68984670000E-19 1.54442340000E-19 4.94340720000E-20 1.53683070000E-20 4.63708210000E-21 2P 1 1.00 Wavefunction 2.45141000000E-05 2.57709390000E-05 2.70922160000E-05 2.84812330000E-05 2.99414640000E-05 3.14765590000E-05 3.30903550000E-05 3.47868890000E-05 3.65704000000E-05 3.84453500000E-05 4.04164240000E-05 4.24885500000E-05 4.46669100000E-05 4.69569490000E-05 4.93643920000E-05 5.18952580000E-05 5.45558730000E-05 5.73528890000E-05 6.02932980000E-05 6.33844510000E-05 6.66340750000E-05 7.00502930000E-05 7.36416460000E-05 7.74171090000E-05 8.13861210000E-05 8.55586020000E-05 8.99449820000E-05 9.45562250000E-05 9.94038560000E-05 1.04499990000E-04 1.09857370000E-04 1.15489380000E-04 1.21410090000E-04 1.27634310000E-04 1.34177590000E-04 1.41056270000E-04 1.48287560000E-04 1.55889510000E-04 1.63881130000E-04 1.72282380000E-04 1.81114260000E-04 1.90398830000E-04 2.00159280000E-04 2.10420010000E-04 2.21206640000E-04 2.32546120000E-04 2.44466780000E-04 2.56998380000E-04 2.70172230000E-04 2.84021230000E-04 2.98579970000E-04 3.13884800000E-04 3.29973940000E-04 3.46887550000E-04 3.64667870000E-04 3.83359280000E-04 4.03008440000E-04 4.23664390000E-04 4.45378690000E-04 4.68205520000E-04 4.92201840000E-04 5.17427530000E-04 5.43945500000E-04 5.71821920000E-04 6.01126300000E-04 6.31931720000E-04 6.64314990000E-04 6.98356840000E-04 7.34142130000E-04 7.71760050000E-04 8.11304320000E-04 8.52873470000E-04 8.96571050000E-04 9.42505870000E-04 9.90792310000E-04 1.04155060000E-03 1.09490700000E-03 1.15099430000E-03 1.20995200000E-03 1.27192680000E-03 1.33707260000E-03 1.40555150000E-03 1.47753360000E-03 1.55319770000E-03 1.63273150000E-03 1.71633260000E-03 1.80420840000E-03 1.89657670000E-03 1.99366660000E-03 2.09571870000E-03 2.20298560000E-03 2.31573300000E-03 2.43423980000E-03 2.55879910000E-03 2.68971870000E-03 2.82732190000E-03 2.97194840000E-03 3.12395490000E-03 3.28371620000E-03 3.45162570000E-03 3.62809660000E-03 3.81356300000E-03 4.00848050000E-03 4.21332760000E-03 4.42860650000E-03 4.65484470000E-03 4.89259580000E-03 5.14244100000E-03 5.40499020000E-03 5.68088360000E-03 5.97079290000E-03 6.27542330000E-03 6.59551430000E-03 6.93184190000E-03 7.28522010000E-03 7.65650270000E-03 8.04658510000E-03 8.45640620000E-03 8.88695030000E-03 9.33924950000E-03 9.81438520000E-03 1.03134910000E-02 1.08377550000E-02 1.13884200000E-02 1.19667900000E-02 1.25742300000E-02 1.32121680000E-02 1.38820990000E-02 1.45855870000E-02 1.53242710000E-02 1.60998600000E-02 1.69141450000E-02 1.77689960000E-02 1.86663690000E-02 1.96083030000E-02 2.05969300000E-02 2.16344750000E-02 2.27232560000E-02 2.38656940000E-02 2.50643080000E-02 2.63217240000E-02 2.76406770000E-02 2.90240070000E-02 3.04746730000E-02 3.19957450000E-02 3.35904100000E-02 3.52619770000E-02 3.70138700000E-02 3.88496390000E-02 4.07729540000E-02 4.27876050000E-02 4.48975060000E-02 4.71066880000E-02 4.94193000000E-02 5.18396070000E-02 5.43719840000E-02 5.70209080000E-02 5.97909580000E-02 6.26868020000E-02 6.57131900000E-02 6.88749400000E-02 7.21769290000E-02 7.56240730000E-02 7.92213140000E-02 8.29735980000E-02 8.68858510000E-02 9.09629590000E-02 9.52097330000E-02 9.96308870000E-02 1.04230990000E-01 1.09014450000E-01 1.13985460000E-01 1.19147930000E-01 1.24505500000E-01 1.30061430000E-01 1.35818590000E-01 1.41779360000E-01 1.47945630000E-01 1.54318690000E-01 1.60899180000E-01 1.67687050000E-01 1.74681500000E-01 1.81880880000E-01 1.89282700000E-01 1.96883510000E-01 2.04678910000E-01 2.12663500000E-01 2.20830860000E-01 2.29173500000E-01 2.37682920000E-01 2.46349560000E-01 2.55162900000E-01 2.64111450000E-01 2.73182880000E-01 2.82364060000E-01 2.91641200000E-01 3.00999980000E-01 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