Generated using ld1 code Author: P. Giannozzi Generation date: 1988 Info: Al LDA 3s2 3p1 VonBarth-Car (3s1 3p1 3d0 for l=2 local part) 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 1.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number Al 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 1 Max angular momentum component 171 Number of points in mesh 2 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 1.00 1.40889529913E-03 1.49976123912E-03 1.59648752875E-03 1.69945212808E-03 1.80905737354E-03 1.92573155000E-03 2.04993056434E-03 2.18213972690E-03 2.32287564787E-03 2.47268825591E-03 2.63216294705E-03 2.80192287210E-03 2.98263137167E-03 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6.53868932478E-06 7.40930178249E-06 8.39583361589E-06 9.51371929709E-06 1.07804479572E-05 1.22158365916E-05 1.38423421868E-05 1.56854108388E-05 1.77738755859E-05 2.01404100611E-05 2.28220359300E-05 2.58607052521E-05 2.93039548566E-05 3.32056500120E-05 3.76268260054E-05 4.26366448906E-05 4.83134759966E-05 5.47461183846E-05 6.20351939981E-05 7.02947181015E-05 7.96538804923E-05 9.02590670734E-05 1.02276146504E-04 1.15893063876E-04 1.31322760171E-04 1.48806539032E-04 1.68617788714E-04 1.91066269775E-04 2.16502973969E-04 2.45325533472E-04 2.77984505266E-04 3.14990335699E-04 3.56921347897E-04 4.04432709148E-04 4.58266689836E-04 5.19264139347E-04 5.88377611802E-04 6.66686119979E-04 7.55411896137E-04 8.55939322567E-04 9.69836333263E-04 1.09887863856E-03 1.24507723050E-03 1.41070915394E-03 1.59835264633E-03 1.81092656772E-03 2.05173498719E-03 2.32451754853E-03 2.63350629275E-03 2.98348956225E-03 3.37988402348E-03 3.82881566220E-03 4.33721097344E-03 4.91289923416E-03 5.56472713972E-03 6.30268694773E-03 7.13806021803E-03 8.08357780342E-03 9.15359750428E-03 1.03643010384E-02 1.17339147012E-02 1.32829438689E-02 1.50344441515E-02 1.70143007686E-02 1.92515446206E-02 2.17786815715E-02 2.46320459746E-02 2.78521710565E-02 3.14841673593E-02 3.55781014351E-02 4.01893625587E-02 4.53789961118E-02 5.12139792611E-02 5.77674005306E-02 6.51185069706E-02 7.33525396219E-02 8.25603041687E-02 9.28373649420E-02 1.04282737338E-01 1.16996934457E-01 1.31079243130E-01 1.46623886441E-01 1.63715047117E-01 1.82420377714E-01 2.02782808109E-01 2.24810548755E-01 2.48465199847E-01 2.73648084104E-01 3.00185326738E-01 3.27812399982E-01 3.56159460641E-01 3.84739417209E-01 4.12940810419E-01 4.40028097861E-01 4.65151376115E-01 4.87366679709E-01 5.05666166127E-01 5.19015392933E-01 5.26393926962E-01 5.26835804051E-01 5.19471260910E-01 5.03579745265E-01 4.78672444752E-01 4.44625143102E-01 4.01867246381E-01 3.51597300323E-01 2.95945084427E-01 2.37962728996E-01 1.81340488322E-01 1.29829589737E-01 8.64986417912E-02 5.30776474613E-02 2.96619360508E-02 1.49119865618E-02 6.65329055171E-03 2.59514125071E-03 8.70119407684E-04 2.46052084818E-04 5.74321974426E-05 1.07984938362E-05 1.59083078073E-06 1.77949059827E-07 1.45850750647E-08 8.41254165787E-10 3.26196876707E-11 8.07294744520E-13 1.19996822079E-14 1.13843352523E-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 2 Number of nonzero Dij 1 1 2.74281031275E+00 2 2 6.93544664074E+00 3S 0 2.00 Wavefunction 1.07956380000E-04 1.14919060000E-04 1.22330810000E-04 1.30220610000E-04 1.38619290000E-04 1.47559660000E-04 1.57076680000E-04 1.67207550000E-04 1.77991860000E-04 1.89471770000E-04 2.01692160000E-04 2.14700800000E-04 2.28548560000E-04 2.43289570000E-04 2.58981480000E-04 2.75685650000E-04 2.93467420000E-04 3.12396340000E-04 3.32546460000E-04 3.53996620000E-04 3.76830770000E-04 4.01138280000E-04 4.27014320000E-04 4.54560210000E-04 4.83883870000E-04 5.15100200000E-04 5.48331550000E-04 5.83708260000E-04 6.21369120000E-04 6.61461970000E-04 7.04144300000E-04 7.49583880000E-04 7.97959460000E-04 8.49461500000E-04 9.04292990000E-04 9.62670280000E-04 1.02482400000E-03 1.09100010000E-03 1.16146080000E-03 1.23648590000E-03 1.31637390000E-03 1.40144340000E-03 1.49203460000E-03 1.58851090000E-03 1.69126070000E-03 1.80069900000E-03 1.91727000000E-03 2.04144910000E-03 2.17374560000E-03 2.31470540000E-03 2.46491410000E-03 2.62500090000E-03 2.79564220000E-03 2.97756610000E-03 3.17155740000E-03 3.37846360000E-03 3.59920080000E-03 3.83476170000E-03 4.08622360000E-03 4.35475840000E-03 4.64164400000E-03 4.94827720000E-03 5.27618900000E-03 5.62706270000E-03 6.00275440000E-03 6.40531800000E-03 6.83703360000E-03 7.30044250000E-03 7.79838720000E-03 8.33405950000E-03 8.91105870000E-03 9.53345900000E-03 1.02058920000E-02 1.09336450000E-02 1.17227770000E-02 1.25802610000E-02 1.35141560000E-02 1.45338060000E-02 1.56500920000E-02 1.68757260000E-02 1.82256140000E-02 1.97172850000E-02 2.13714210000E-02 2.32124830000E-02 2.52694790000E-02 2.75768800000E-02 3.01757200000E-02 3.31149100000E-02 3.64527990000E-02 4.02590070000E-02 4.46165630000E-02 4.96243440000E-02 5.53998030000E-02 6.20819160000E-02 6.98342050000E-02 7.88475720000E-02 8.93425280000E-02 1.01570160000E-01 1.15810870000E-01 1.32369700000E-01 1.51566420000E-01 1.73718770000E-01 1.99116700000E-01 2.27986410000E-01 2.60443940000E-01 2.96440370000E-01 3.35704150000E-01 3.77689670000E-01 4.21544870000E-01 4.66111850000E-01 5.09971510000E-01 5.51535380000E-01 5.89175470000E-01 6.21370260000E-01 6.46837390000E-01 6.64626120000E-01 6.74155240000E-01 6.75200750000E-01 6.67852450000E-01 6.52462930000E-01 6.29605650000E-01 6.00045250000E-01 5.64713430000E-01 5.24680510000E-01 4.81117630000E-01 4.35249910000E-01 3.88305210000E-01 3.41463500000E-01 2.95810490000E-01 2.52298260000E-01 2.11714500000E-01 1.74661680000E-01 1.41547100000E-01 1.12583950000E-01 8.78031150000E-02 6.70743360000E-02 5.01348380000E-02 3.66227820000E-02 2.61126100000E-02 1.81493530000E-02 1.22792900000E-02 8.07493170000E-03 5.15312670000E-03 3.18595730000E-03 1.90489680000E-03 1.09936200000E-03 6.11179200000E-04 3.26599510000E-04 1.67369340000E-04 8.20485660000E-05 3.83743710000E-05 1.70739490000E-05 7.20382900000E-06 2.87115540000E-06 1.07789350000E-06 3.79763370000E-07 1.25034800000E-07 3.82957100000E-08 1.08575410000E-08 2.83436650000E-09 6.77416500000E-10 1.47785090000E-10 3.19043390000E-11 6.22689270000E-12 1.09161570000E-12 1.70701370000E-13 2.36358520000E-14 2.87517460000E-15 3.04710810000E-16 2.78856130000E-17 2.18288160000E-18 3P 1 1.00 Wavefunction 3.21199750000E-07 3.63967070000E-07 4.12428800000E-07 4.67343160000E-07 5.29569320000E-07 6.00080830000E-07 6.79980880000E-07 7.70519580000E-07 8.73113430000E-07 9.89367610000E-07 1.12110100000E-06 1.27037460000E-06 1.43952400000E-06 1.63119570000E-06 1.84838850000E-06 2.09450070000E-06 2.37338290000E-06 2.68939860000E-06 3.04749230000E-06 3.45326690000E-06 3.91307130000E-06 4.43410000000E-06 5.02450560000E-06 5.69352610000E-06 6.45163000000E-06 7.31067990000E-06 8.28411810000E-06 9.38717730000E-06 1.06371190000E-05 1.20535040000E-05 1.36584970000E-05 1.54772180000E-05 1.75381310000E-05 1.98734920000E-05 2.25198570000E-05 2.55186480000E-05 2.89168110000E-05 3.27675460000E-05 3.71311450000E-05 4.20759340000E-05 4.76793520000E-05 5.40291600000E-05 6.12248260000E-05 6.93790850000E-05 7.86197150000E-05 8.90915480000E-05 1.00958750000E-04 1.14407410000E-04 1.29648490000E-04 1.46921140000E-04 1.66496500000E-04 1.88681990000E-04 2.13826190000E-04 2.42324390000E-04 2.74624900000E-04 3.11236210000E-04 3.52735140000E-04 3.99776110000E-04 4.53101710000E-04 5.13554730000E-04 5.82091870000E-04 6.59799360000E-04 7.47910850000E-04 8.47827820000E-04 9.61142890000E-04 1.08966650000E-03 1.23545780000E-03 1.40085920000E-03 1.58853760000E-03 1.80153010000E-03 2.04329820000E-03 2.31778930000E-03 2.62950830000E-03 2.98360060000E-03 3.38594820000E-03 3.84328140000E-03 4.36330900000E-03 4.95487000000E-03 5.62811080000E-03 6.39469200000E-03 7.26803110000E-03 8.26358500000E-03 9.39918180000E-03 1.06954080000E-02 1.21760590000E-02 1.38686620000E-02 1.58050860000E-02 1.80222300000E-02 2.05628180000E-02 2.34762850000E-02 2.68197500000E-02 3.06590650000E-02 3.50698990000E-02 4.01387920000E-02 4.59640960000E-02 5.26566470000E-02 6.03399710000E-02 6.91497770000E-02 7.92323740000E-02 9.07416410000E-02 1.03834110000E-01 1.18661770000E-01 1.35362300000E-01 1.54046660000E-01 1.74784460000E-01 1.97587900000E-01 2.22395700000E-01 2.49059050000E-01 2.77331640000E-01 3.06865840000E-01 3.37216100000E-01 3.67849770000E-01 3.98164290000E-01 4.27508620000E-01 4.55207200000E-01 4.80584730000E-01 5.02991180000E-01 5.21826670000E-01 5.36565610000E-01 5.46778730000E-01 5.52151120000E-01 5.52494640000E-01 5.47753720000E-01 5.38004870000E-01 5.23450980000E-01 5.04411860000E-01 4.81312090000E-01 4.54667140000E-01 4.25067690000E-01 3.93162260000E-01 3.59638010000E-01 3.25199670000E-01 2.90547120000E-01 2.56352440000E-01 2.23237380000E-01 1.91752690000E-01 1.62360550000E-01 1.35421200000E-01 1.11185000000E-01 8.97902870000E-02 7.12672710000E-02 5.55476790000E-02 4.24792180000E-02 3.18436190000E-02 2.33766560000E-02 1.67884360000E-02 1.17823210000E-02 8.07114990000E-03 5.38984240000E-03 3.50396100000E-03 2.21430010000E-03 1.35795770000E-03 8.06615820000E-04 4.62950900000E-04 2.56491660000E-04 1.36891940000E-04 7.02072540000E-05 3.45103460000E-05 1.62132070000E-05 7.25854550000E-06 3.08683590000E-06 1.24276570000E-06 4.71960070000E-07 1.68421100000E-07 5.62670220000E-08 1.76079440000E-08 5.45708980000E-09 1.56576070000E-09 4.13837380000E-10 1.00221980000E-10 2.21139190000E-11 2.33092631347E-08 2.64129131746E-08 2.99298242480E-08 3.39150329472E-08 3.84308955639E-08 4.35480666156E-08 4.93466291736E-08 5.59173232544E-08 6.33629667796E-08 7.18000821021E-08 8.13607116784E-08 9.21944808929E-08 1.04470960785E-07 1.18382290541E-07 1.34146230506E-07 1.52009542165E-07 1.72251886149E-07 1.95190179356E-07 2.21183583326E-07 2.50639138995E-07 2.84018170565E-07 3.21843500606E-07 3.64707704627E-07 4.13282385270E-07 4.68328822822E-07 5.30709878121E-07 6.01403604063E-07 6.81518784682E-07 7.72312314880E-07 8.75209162471E-07 9.91824944985E-07 1.12399153059E-06 1.27378618565E-06 1.44356463565E-06 1.63599876749E-06 1.85411933739E-06 2.10136464391E-06 2.38163614847E-06 2.69936110180E-06 3.05956514602E-06 3.46795380981E-06 3.93100635694E-06 4.45608297451E-06 5.05154721627E-06 5.72690657032E-06 6.49297108113E-06 7.36204117500E-06 8.34811791124E-06 9.46714859800E-06 1.07373079990E-05 1.21793241253E-05 1.38168603434E-05 1.56769522604E-05 1.77905208697E-05 2.01929715187E-05 2.29249005715E-05 2.60329148764E-05 2.95706155297E-05 3.35997477780E-05 3.81915799054E-05 4.34285489906E-05 4.94062296915E-05 5.62357113670E-05 6.40464812718E-05 7.29899164284E-05 8.32435704435E-05 9.50164128706E-05 1.08555327890E-04 1.24153137549E-04 1.42158606200E-04 1.62989001844E-04 1.87145828249E-04 2.15234776931E-04 2.47991058512E-04 2.86311646397E-04 3.31296745576E-04 3.84303290214E-04 4.47013770408E-04 5.21526390394E-04 6.10472341829E-04 7.17170287425E-04 8.45829492595E-04 1.00181988963E-03 1.19203048634E-03 1.42534955063E-03 1.71330840674E-03 2.07094889850E-03 2.51799530279E-03 3.08044259397E-03 3.79271124665E-03 4.70057437793E-03 5.86512930153E-03 7.36817416075E-03 9.31945121168E-03 1.18663304971E-02 1.52066016939E-02 1.96050867191E-02 2.54146864640E-02 3.31020843100E-02 4.32775203676E-02 5.67262817427E-02 7.44370377602E-02 9.76178726991E-02 1.27685979747E-01 1.66211699223E-01 2.14794764158E-01 2.74854400033E-01 3.47329384036E-01 4.32312993392E-01 5.28687157180E-01 6.33856580123E-01 7.43696004073E-01 8.52790270731E-01 9.54965620199E-01 1.04401081314E+00 1.11441744148E+00 1.16197070240E+00 1.18409517912E+00 1.17995644378E+00 1.15038272963E+00 1.09767740834E+00 1.02535893132E+00 9.37836653819E-01 8.40028515291E-01 7.36949276257E-01 6.33316292819E-01 5.33223200206E-01 4.39916851860E-01 3.55690233070E-01 2.81885386686E-01 2.18985557257E-01 1.66768230289E-01 1.24488791977E-01 9.10668650892E-02 6.52537018367E-02 4.57670272219E-02 3.13879521589E-02 2.10213577323E-02 1.37258410270E-02 8.72109366818E-03 5.38058584160E-03 3.21595368621E-03 1.85759339146E-03 1.03431671885E-03 5.53725309380E-04 2.84268776940E-04 1.39570168176E-04 6.53567951881E-05 2.91064260888E-05 1.22912066239E-05 4.90607011756E-06 1.84463215446E-06 6.50732871379E-07 2.14340022877E-07 6.57902953584E-08 1.87396916774E-08 4.92908978162E-09 1.19096691416E-09 2.62868316997E-10 5.26864988428E-11 9.52855679132E-12 1.54446662878E-12 2.22746309710E-13 2.83656670028E-14 3.16597776713E-15 3.10039691965E-16 2.97798290864E-17 2.45160656968E-18 1.71261377085E-19 1.00444452751E-20 4.89025413539E-22