Generated using ld1 code Author: P. Giannozzi Generation date: 1993 Info: Li LDA 2s1 VonBarth-Car, l=1 local, core correction 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 1.00 2.97000000000 0.00000000000 0.00000000000 2P 0 1 0.00 2.97000000000 0.00000000000 0.00000000000 0 Version Number Li Element NC Norm - Conserving pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 1.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 0 Max angular momentum component 149 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 1.00 2P 1 0.00 6.10521296291E-03 6.49896536953E-03 6.91811262457E-03 7.36429255502E-03 7.83924861867E-03 8.34483671665E-03 8.88303244545E-03 9.45593881657E-03 1.00657944741E-02 1.07149824423E-02 1.14060394372E-02 1.21416657791E-02 1.29247359439E-02 1.37583097953E-02 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3.95995949928E-01 4.17275150098E-01 4.38753110857E-01 4.60128104911E-01 4.81004795268E-01 5.00877296634E-01 5.19113391620E-01 5.34942887086E-01 5.47454340640E-01 5.55606281912E-01 5.58260125029E-01 5.54243321200E-01 5.42449709938E-01 5.21980480700E-01 4.92321389344E-01 4.53537438631E-01 4.06450967685E-01 3.52751268829E-01 2.94976749940E-01 2.36320345389E-01 1.80246828464E-01 1.29971433336E-01 8.79175387081E-02 5.53120610154E-02 3.20580929304E-02 1.69360675166E-02 8.05900886132E-03 3.40840246298E-03 1.26211926403E-03 4.02328020071E-04 1.08316855150E-04 2.41035572515E-05 4.32664977659E-06 6.09450504001E-07 6.52963474474E-08 5.13613682227E-09 2.84925969105E-10 1.06496377877E-11 2.54596762945E-13 3.67963402914E-15 3.69957309232E-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 1 Number of nonzero Dij 1 1 1.05544869492E+01 2S 0 1.00 Wavefunction 5.24259040000E-04 5.58073470000E-04 5.94069280000E-04 6.32387270000E-04 6.73177350000E-04 7.16599120000E-04 7.62822490000E-04 8.12028390000E-04 8.64409470000E-04 9.20170850000E-04 9.79530960000E-04 1.04272240000E-03 1.10999280000E-03 1.18160610000E-03 1.25784320000E-03 1.33900330000E-03 1.42540530000E-03 1.51738880000E-03 1.61531550000E-03 1.71957110000E-03 1.83056630000E-03 1.94873930000E-03 2.07455670000E-03 2.20851650000E-03 2.35114930000E-03 2.50302160000E-03 2.66473740000E-03 2.83694180000E-03 3.02032320000E-03 3.21561720000E-03 3.42360960000E-03 3.64514070000E-03 3.88110920000E-03 4.13247720000E-03 4.40027520000E-03 4.68560770000E-03 4.98965980000E-03 5.31370420000E-03 5.65910910000E-03 6.02734720000E-03 6.42000570000E-03 6.83879780000E-03 7.28557560000E-03 7.76234480000E-03 8.27128190000E-03 8.81475330000E-03 9.39533820000E-03 1.00158540000E-02 1.06793870000E-02 1.13893270000E-02 1.21494090000E-02 1.29637580000E-02 1.38369510000E-02 1.47740770000E-02 1.57808160000E-02 1.68635330000E-02 1.80293800000E-02 1.92864270000E-02 2.06438110000E-02 2.21119070000E-02 2.37025430000E-02 2.54292370000E-02 2.73074860000E-02 2.93551060000E-02 3.15926150000E-02 3.40436990000E-02 3.67357310000E-02 3.97003780000E-02 4.29742830000E-02 4.65998390000E-02 5.06260220000E-02 5.51093000000E-02 6.01145660000E-02 6.57160460000E-02 7.19981100000E-02 7.90558530000E-02 8.69952840000E-02 9.59328720000E-02 1.05994170000E-01 1.17311100000E-01 1.30017530000E-01 1.44242650000E-01 1.60101770000E-01 1.77684500000E-01 1.97040290000E-01 2.18162300000E-01 2.40970890000E-01 2.65299110000E-01 2.90882690000E-01 3.17357570000E-01 3.44266750000E-01 3.71076850000E-01 3.97202600000E-01 4.22035280000E-01 4.44970400000E-01 4.65430760000E-01 4.82883060000E-01 4.96849060000E-01 5.06914100000E-01 5.12735530000E-01 5.14052810000E-01 5.10698890000E-01 5.02611840000E-01 4.89844710000E-01 4.72572580000E-01 4.51095430000E-01 4.25836080000E-01 3.97332370000E-01 3.66223170000E-01 3.33227920000E-01 2.99120110000E-01 2.64695570000E-01 2.30737290000E-01 1.97979030000E-01 1.67070560000E-01 1.38547820000E-01 1.12810550000E-01 9.01100940000E-02 7.05481860000E-02 5.40869010000E-02 4.05681150000E-02 2.97399700000E-02 2.12870140000E-02 1.48606060000E-02 1.01065290000E-02 6.68755600000E-03 4.29972740000E-03 2.68208050000E-03 1.62043030000E-03 9.46354250000E-04 5.32903450000E-04 2.89089030000E-04 1.50756190000E-04 7.53823230000E-05 3.60438950000E-05 1.64323550000E-05 7.12076750000E-06 2.92330190000E-06 1.13292540000E-06 4.12915570000E-07 1.40956340000E-07 4.48713060000E-08 1.32574870000E-08 3.61695980000E-09 9.06307600000E-10 2.08055320000E-10 4.72444330000E-11 9.73063800000E-12 1.80641060000E-12 2P 1 0.00 Wavefunction 8.84526530000E-06 1.00229730000E-05 1.13574840000E-05 1.28696740000E-05 1.45831970000E-05 1.65248580000E-05 1.87250290000E-05 2.12181240000E-05 2.40431380000E-05 2.72442570000E-05 3.08715470000E-05 3.49817370000E-05 3.96391040000E-05 4.49164790000E-05 5.08963840000E-05 5.76723180000E-05 6.53502180000E-05 7.40501120000E-05 8.39079890000E-05 9.50779210000E-05 1.07734460000E-04 1.22075370000E-04 1.38324680000E-04 1.56736180000E-04 1.77597380000E-04 2.01233950000E-04 2.28014780000E-04 2.58357710000E-04 2.92735950000E-04 3.31685450000E-04 3.75813110000E-04 4.25806160000E-04 4.82442670000E-04 5.46603540000E-04 6.19285880000E-04 7.01618210000E-04 7.94877630000E-04 9.00509040000E-04 1.02014690000E-03 1.15563970000E-03 1.30907730000E-03 1.48282200000E-03 1.67954280000E-03 1.90225450000E-03 2.15436050000E-03 2.43970160000E-03 2.76260930000E-03 3.12796540000E-03 3.54126820000E-03 4.00870520000E-03 4.53723280000E-03 5.13466380000E-03 5.80976180000E-03 6.57234390000E-03 7.43338960000E-03 8.40515670000E-03 9.50130180000E-03 1.07370050000E-02 1.21290940000E-02 1.36961650000E-02 1.54586990000E-02 1.74391570000E-02 1.96620610000E-02 2.21540340000E-02 2.49437980000E-02 2.80621160000E-02 3.15416470000E-02 3.54167150000E-02 3.97229500000E-02 4.44967970000E-02 4.97748680000E-02 5.55931120000E-02 6.19858160000E-02 6.89844210000E-02 7.66161970000E-02 8.49028100000E-02 9.38588710000E-02 1.03490570000E-01 1.13794570000E-01 1.24757240000E-01 1.36354590000E-01 1.48552830000E-01 1.61309790000E-01 1.74577230000E-01 1.88303620000E-01 2.02437270000E-01 2.16929040000E-01 2.31733910000E-01 2.46810860000E-01 2.62120140000E-01 2.77618010000E-01 2.93249200000E-01 3.08937920000E-01 3.24579090000E-01 3.40031310000E-01 3.55113170000E-01 3.69603680000E-01 3.83246690000E-01 3.95758320000E-01 4.06836280000E-01 4.16169790000E-01 4.23449850000E-01 4.28379650000E-01 4.30685580000E-01 4.30128860000E-01 4.26518020000E-01 4.19721610000E-01 4.09680870000E-01 3.96420990000E-01 3.80060130000E-01 3.60814700000E-01 3.38999780000E-01 3.15023400000E-01 2.89374250000E-01 2.62602730000E-01 2.35296240000E-01 2.08050420000E-01 1.81438650000E-01 1.55982780000E-01 1.32127850000E-01 1.10223120000E-01 9.05111970000E-02 7.31256470000E-02 5.80966560000E-02 4.53633600000E-02 3.47908260000E-02 2.61894520000E-02 1.93346880000E-02 1.39852960000E-02 9.89891010000E-03 6.84549510000E-03 4.62637550000E-03 3.05174070000E-03 1.96166090000E-03 1.22665960000E-03 7.44826110000E-04 4.38301170000E-04 2.49447700000E-04 1.36999850000E-04 7.24398170000E-05 3.67847870000E-05 1.78911860000E-05 8.31113860000E-06 3.67639340000E-06 1.54358080000E-06 6.13090990000E-07 2.29665340000E-07 8.12789660000E-08 2.85296990000E-08 2.74847541022E-07 3.11445997918E-07 3.52918309440E-07 3.99913659258E-07 4.53167744553E-07 5.13514298785E-07 5.81898151250E-07 6.59390106166E-07 7.47203731826E-07 8.46714393190E-07 9.59480901599E-07 1.08727000346E-06 1.23208401605E-06 1.39619297556E-06 1.58216951579E-06 1.79292983741E-06 2.03178026927E-06 2.30246877037E-06 2.60924416454E-06 2.95692476796E-06 3.35097297870E-06 3.79758485936E-06 4.30378550151E-06 4.87754513077E-06 5.52790303089E-06 6.26511713007E-06 7.10082541096E-06 8.04823877659E-06 9.12235223246E-06 1.03401939769E-05 1.17211026932E-05 1.32870507228E-05 1.50630086223E-05 1.70773678085E-05 1.93624218357E-05 2.19549195183E-05 2.48967049197E-05 2.82354523251E-05 3.20255158057E-05 3.63289142693E-05 4.12164731880E-05 4.67691553493E-05 5.30796118233E-05 6.02539967941E-05 6.84141042693E-05 7.76998757399E-05 8.82723798924E-05 1.00317331349E-04 1.14049306696E-04 1.29716769513E-04 1.47608139049E-04 1.68059021483E-04 1.91461212976E-04 2.18273351202E-04 2.49034153626E-04 2.84378745242E-04 3.25058543184E-04 3.71966266426E-04 4.26166932604E-04 4.88936431177E-04 5.61810544667E-04 6.46646094402E-04 7.45698791640E-04 8.61722248271E-04 9.98093322538E-04 1.15897344160E-03 1.34951393210E-03 1.57612001334E-03 1.84678899936E-03 2.17154499483E-03 2.56299410354E-03 3.03703494649E-03 3.61376104537E-03 4.31859870187E-03 5.18372784357E-03 6.24982789356E-03 7.56817943824E-03 9.20311593017E-03 1.12347640740E-02 1.37618941832E-02 1.69045581073E-02 2.08059420790E-02 2.56325767571E-02 3.15717815402E-02 3.88248758833E-02 4.75947891413E-02 5.80669698274E-02 7.03836177668E-02 8.46127393416E-02 1.00715827236E-01 1.18519595156E-01 1.37698028606E-01 1.57769905447E-01 1.78113777565E-01 1.97998656876E-01 2.16625792354E-01 2.33176049635E-01 2.46858988423E-01 2.56961904779E-01 2.62897723724E-01 2.64250291469E-01 2.60813356247E-01 2.52618661708E-01 2.39947839915E-01 2.23324843368E-01 2.03487086967E-01 1.81336367030E-01 1.57873012250E-01 1.34119410245E-01 1.11040846668E-01 8.94728402064E-02 7.00637447776E-02 5.32396969965E-02 3.91956963197E-02 2.79125720187E-02 1.91954984268E-02 1.27262201913E-02 8.11982904069E-03 4.97704654789E-03 2.92539285978E-03 1.64577195465E-03 8.84465815601E-04 4.53136965036E-04 2.20837610687E-04 1.02141928428E-04 4.47234052531E-05 1.84876557143E-05 7.19355580848E-06 2.62579435716E-06 8.95586366493E-07 2.83986087022E-07 8.35724672663E-08 2.27274288233E-08 5.68249462088E-09 1.29916236677E-09 2.70022290846E-10 5.07053297891E-11 8.54569399854E-12 1.28351996197E-12 1.70499267948E-13 1.98686897862E-14 2.01343410215E-15 1.75760961555E-16 1.30823981948E-17 8.21393465818E-19 4.32870161803E-20 2.23203644949E-21 9.46853158870E-23 3.26311925579E-24