Generated using unknown code Author: X. Gonze et al. Generation date: 1990 Info: P BHS modified for use as KB with l=2 as 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 3.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number P Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 5.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 433 Number of points in mesh 2 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 3.00 1.22104259258E-03 1.25195343298E-03 1.28364678503E-03 1.31614245810E-03 1.34946076305E-03 1.38362252491E-03 1.41864909589E-03 1.45456236874E-03 1.49138479041E-03 1.52913937613E-03 1.56784972373E-03 1.60754002845E-03 1.64823509802E-03 1.68996036818E-03 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of nonzero Dij 1 1 1.08956989342E+00 2 2 2.37898790224E+00 3S 0 2.00 Wavefunction 2.79539020000E-04 2.86615620000E-04 2.93871380000E-04 3.01310810000E-04 3.08938580000E-04 3.16759450000E-04 3.24778320000E-04 3.33000180000E-04 3.41430190000E-04 3.50073610000E-04 3.58935840000E-04 3.68022430000E-04 3.77339060000E-04 3.86891540000E-04 3.96685850000E-04 4.06728120000E-04 4.17024610000E-04 4.27581780000E-04 4.38406200000E-04 4.49504670000E-04 4.60884100000E-04 4.72551610000E-04 4.84514510000E-04 4.96780260000E-04 5.09356540000E-04 5.22251210000E-04 5.35472320000E-04 5.49028150000E-04 5.62927170000E-04 5.77178070000E-04 5.91789750000E-04 6.06771370000E-04 6.22132270000E-04 6.37882060000E-04 6.54030600000E-04 6.70587980000E-04 6.87564550000E-04 7.04970930000E-04 7.22818000000E-04 7.41116920000E-04 7.59879140000E-04 7.79116380000E-04 7.98840680000E-04 8.19064360000E-04 8.39800090000E-04 8.61060820000E-04 8.82859860000E-04 9.05210830000E-04 9.28127720000E-04 9.51624860000E-04 9.75716940000E-04 1.00041900000E-03 1.02574660000E-03 1.05171550000E-03 1.07834200000E-03 1.10564260000E-03 1.13363460000E-03 1.16233540000E-03 1.19176290000E-03 1.22193570000E-03 1.25287250000E-03 1.28459270000E-03 1.31711620000E-03 1.35046340000E-03 1.38465510000E-03 1.41971270000E-03 1.45565820000E-03 1.49251400000E-03 1.53030330000E-03 1.56904970000E-03 1.60877750000E-03 1.64951160000E-03 1.69127750000E-03 1.73410130000E-03 1.77800990000E-03 1.82303070000E-03 1.86919220000E-03 1.91652300000E-03 1.96505300000E-03 2.01481250000E-03 2.06583280000E-03 2.11814590000E-03 2.17178450000E-03 2.22678240000E-03 2.28317400000E-03 2.34099470000E-03 2.40028090000E-03 2.46106980000E-03 2.52339950000E-03 2.58730930000E-03 2.65283920000E-03 2.72003060000E-03 2.78892550000E-03 2.85956750000E-03 2.93200080000E-03 3.00627120000E-03 3.08242530000E-03 3.16051120000E-03 3.24057810000E-03 3.32267640000E-03 3.40685790000E-03 3.49317570000E-03 3.58168430000E-03 3.67243970000E-03 3.76549910000E-03 3.86092140000E-03 3.95876700000E-03 4.05909780000E-03 4.16197750000E-03 4.26747110000E-03 4.37564560000E-03 4.48656970000E-03 4.60031390000E-03 4.71695040000E-03 4.83655360000E-03 4.95919960000E-03 5.08496660000E-03 5.21393480000E-03 5.34618670000E-03 5.48180690000E-03 5.62088220000E-03 5.76350180000E-03 5.90975720000E-03 6.05974250000E-03 6.21355430000E-03 6.37129160000E-03 6.53305630000E-03 6.69895310000E-03 6.86908950000E-03 7.04357590000E-03 7.22252570000E-03 7.40605560000E-03 7.59428540000E-03 7.78733820000E-03 7.98534070000E-03 8.18842300000E-03 8.39671900000E-03 8.61036640000E-03 8.82950660000E-03 9.05428540000E-03 9.28485260000E-03 9.52136220000E-03 9.76397310000E-03 1.00128480000E-02 1.02681570000E-02 1.05300700000E-02 1.07987690000E-02 1.10744350000E-02 1.13572580000E-02 1.16474330000E-02 1.19451620000E-02 1.22506520000E-02 1.25641170000E-02 1.28857770000E-02 1.32158600000E-02 1.35546020000E-02 1.39022440000E-02 1.42590380000E-02 1.46252430000E-02 1.50011270000E-02 1.53869660000E-02 1.57830460000E-02 1.61896640000E-02 1.66071260000E-02 1.70357510000E-02 1.74758660000E-02 1.79278120000E-02 1.83919440000E-02 1.88686260000E-02 1.93582400000E-02 1.98611800000E-02 2.03778560000E-02 2.09086950000E-02 2.14541390000E-02 2.20146490000E-02 2.25907040000E-02 2.31828040000E-02 2.37914680000E-02 2.44172410000E-02 2.50606860000E-02 2.57223940000E-02 2.64029810000E-02 2.71030920000E-02 2.78234000000E-02 2.85646090000E-02 2.93274560000E-02 3.01127140000E-02 3.09211920000E-02 3.17537380000E-02 3.26112430000E-02 3.34946420000E-02 3.44049180000E-02 3.53431030000E-02 3.63102830000E-02 3.73076040000E-02 3.83362680000E-02 3.93975470000E-02 4.04927800000E-02 4.16233790000E-02 4.27908380000E-02 4.39967330000E-02 4.52427310000E-02 4.65305960000E-02 4.78621940000E-02 4.92395040000E-02 5.06646190000E-02 5.21397610000E-02 5.36672880000E-02 5.52496990000E-02 5.68896520000E-02 5.85899690000E-02 6.03536480000E-02 6.21838820000E-02 6.40840640000E-02 6.60578070000E-02 6.81089570000E-02 7.02416130000E-02 7.24601410000E-02 7.47691940000E-02 7.71737340000E-02 7.96790530000E-02 8.22907940000E-02 8.50149790000E-02 8.78580320000E-02 9.08268090000E-02 9.39286230000E-02 9.71712790000E-02 1.00563100000E-01 1.04112980000E-01 1.07830380000E-01 1.11725400000E-01 1.15808800000E-01 1.20092040000E-01 1.24587310000E-01 1.29307580000E-01 1.34266620000E-01 1.39479030000E-01 1.44960310000E-01 1.50726810000E-01 1.56795840000E-01 1.63185580000E-01 1.69915170000E-01 1.77004640000E-01 1.84474890000E-01 1.92347630000E-01 2.00645330000E-01 2.09391090000E-01 2.18608470000E-01 2.28321350000E-01 2.38553660000E-01 2.49329110000E-01 2.60670780000E-01 2.72600760000E-01 2.85139580000E-01 2.98305660000E-01 3.12114590000E-01 3.26578380000E-01 3.41704590000E-01 3.57495380000E-01 3.73946480000E-01 3.91046130000E-01 4.08773960000E-01 4.27099900000E-01 4.45983110000E-01 4.65371050000E-01 4.85198700000E-01 5.05387950000E-01 5.25847390000E-01 5.46472390000E-01 5.67145630000E-01 5.87738100000E-01 6.08110570000E-01 6.28115610000E-01 6.47600000000E-01 6.66407600000E-01 6.84382410000E-01 7.01371880000E-01 7.17230120000E-01 7.31820950000E-01 7.45020660000E-01 7.56720160000E-01 7.66826660000E-01 7.75264610000E-01 7.81976040000E-01 7.86920250000E-01 7.90073110000E-01 7.91425830000E-01 7.90983720000E-01 7.88764710000E-01 7.84798040000E-01 7.79123080000E-01 7.71788270000E-01 7.62850300000E-01 7.52373470000E-01 7.40429100000E-01 7.27095010000E-01 7.12454970000E-01 6.96598130000E-01 6.79618350000E-01 6.61613470000E-01 6.42684530000E-01 6.22934930000E-01 6.02469620000E-01 5.81394260000E-01 5.59814440000E-01 5.37834920000E-01 5.15558950000E-01 4.93087590000E-01 4.70519140000E-01 4.47948550000E-01 4.25466930000E-01 4.03161090000E-01 3.81113120000E-01 3.59400030000E-01 3.38093440000E-01 3.17259340000E-01 2.96957820000E-01 2.77242970000E-01 2.58162740000E-01 2.39758900000E-01 2.22067010000E-01 2.05116480000E-01 1.88930670000E-01 1.73526990000E-01 1.58917110000E-01 1.45107150000E-01 1.32097960000E-01 1.19885400000E-01 1.08460660000E-01 9.78105980000E-02 8.79181350000E-02 7.87626250000E-02 7.03202620000E-02 6.25644940000E-02 5.54664370000E-02 4.89952910000E-02 4.31187510000E-02 3.78034030000E-02 3.30151130000E-02 2.87193940000E-02 2.48817450000E-02 2.14679770000E-02 1.84444960000E-02 1.57785700000E-02 1.34385510000E-02 1.13940740000E-02 9.61621630000E-03 8.07762740000E-03 6.75262340000E-03 5.61725280000E-03 4.64933280000E-03 3.82845740000E-03 3.13598240000E-03 2.55498800000E-03 2.07022270000E-03 1.66803210000E-03 1.33627430000E-03 1.06422630000E-03 8.42483260000E-04 6.62853790000E-04 5.18253130000E-04 4.02597180000E-04 3.10698600000E-04 2.38166650000E-04 1.81312250000E-04 1.37058970000E-04 1.02860680000E-04 7.66264090000E-05 5.66523610000E-05 4.15613040000E-05 3.02489800000E-05 2.18373090000E-05 1.56339220000E-05 1.10975670000E-05 7.80881330000E-06 5.44553120000E-06 3.76256140000E-06 2.57509400000E-06 1.74551550000E-06 1.17159870000E-06 7.78485100000E-07 5.11949260000E-07 3.33115500000E-07 2.14406170000E-07 1.36469160000E-07 8.58744010000E-08 5.34071070000E-08 3.28179530000E-08 1.99190680000E-08 1.19381500000E-08 7.06284730000E-09 4.12349670000E-09 2.37510500000E-09 1.34956350000E-09 7.56858990000E-10 4.20002420000E-10 2.32855530000E-10 1.27145760000E-10 6.83486700000E-11 3.61575730000E-11 1.88162580000E-11 9.62833790000E-12 4.84248410000E-12 2.39273140000E-12 1.16100420000E-12 5.52952770000E-13 2.58375870000E-13 1.18390160000E-13 5.31696420000E-14 2.33924490000E-14 1.00768590000E-14 4.24795810000E-15 1.75147090000E-15 7.05910120000E-16 2.77951870000E-16 1.06858020000E-16 4.00865850000E-17 1.46647920000E-17 5.22830950000E-18 1.81539800000E-18 6.13503570000E-19 2.01650410000E-19 6.44187760000E-20 1.99868360000E-20 6.01828500000E-21 1.75739500000E-21 4.97274740000E-22 1.36240970000E-22 3.61117490000E-23 9.25241170000E-24 2.28957030000E-24 5.46717730000E-25 1.25860750000E-25 3P 1 3.00 Wavefunction 7.89933360000E-07 8.30434100000E-07 8.73011360000E-07 9.17771590000E-07 9.64826740000E-07 1.01429450000E-06 1.06629840000E-06 1.12096870000E-06 1.17844200000E-06 1.23886200000E-06 1.30237980000E-06 1.36915420000E-06 1.43935220000E-06 1.51314930000E-06 1.59073010000E-06 1.67228860000E-06 1.75802860000E-06 1.84816460000E-06 1.94292200000E-06 2.04253770000E-06 2.14726080000E-06 2.25735310000E-06 2.37309000000E-06 2.49476090000E-06 2.62266990000E-06 2.75713700000E-06 2.89849830000E-06 3.04710740000E-06 3.20333580000E-06 3.36757420000E-06 3.54023330000E-06 3.72174470000E-06 3.91256250000E-06 4.11316360000E-06 4.32404980000E-06 4.54574830000E-06 4.77881360000E-06 5.02382830000E-06 5.28140510000E-06 5.55218820000E-06 5.83685450000E-06 6.13611600000E-06 6.45072090000E-06 6.78145580000E-06 7.12914790000E-06 7.49466640000E-06 7.87892540000E-06 8.28288570000E-06 8.70755750000E-06 9.15400240000E-06 9.62333710000E-06 1.01167350000E-05 1.06354300000E-05 1.11807180000E-05 1.17539640000E-05 1.23566010000E-05 1.29901350000E-05 1.36561510000E-05 1.43563150000E-05 1.50923760000E-05 1.58661760000E-05 1.66796480000E-05 1.75348290000E-05 1.84338540000E-05 1.93789740000E-05 2.03725500000E-05 2.14170670000E-05 2.25151370000E-05 2.36695060000E-05 2.48830600000E-05 2.61588340000E-05 2.75000160000E-05 2.89099620000E-05 3.03921960000E-05 3.19504250000E-05 3.35885450000E-05 3.53106510000E-05 3.71210500000E-05 3.90242680000E-05 4.10250640000E-05 4.31284420000E-05 4.53396590000E-05 4.76642450000E-05 5.01080120000E-05 5.26770710000E-05 5.53778450000E-05 5.82170860000E-05 6.12018940000E-05 6.43397310000E-05 6.76384440000E-05 7.11062790000E-05 7.47519080000E-05 7.85844440000E-05 8.26134710000E-05 8.68490620000E-05 9.13018060000E-05 9.59828370000E-05 1.00903860000E-04 1.06077170000E-04 1.11515710000E-04 1.17233080000E-04 1.23243560000E-04 1.29562180000E-04 1.36204750000E-04 1.43187870000E-04 1.50528990000E-04 1.58246470000E-04 1.66359600000E-04 1.74888660000E-04 1.83854980000E-04 1.93280970000E-04 2.03190190000E-04 2.13607420000E-04 2.24558680000E-04 2.36071370000E-04 2.48174250000E-04 2.60897580000E-04 2.74273170000E-04 2.88334430000E-04 3.03116530000E-04 3.18656400000E-04 3.34992880000E-04 3.52166810000E-04 3.70221110000E-04 3.89200890000E-04 4.09153600000E-04 4.30129080000E-04 4.52179760000E-04 4.75360730000E-04 4.99729930000E-04 5.25348250000E-04 5.52279680000E-04 5.80591530000E-04 6.10354510000E-04 6.41643000000E-04 6.74535150000E-04 7.09113130000E-04 7.45463300000E-04 7.83676480000E-04 8.23848080000E-04 8.66078450000E-04 9.10473050000E-04 9.57142730000E-04 1.00620400000E-03 1.05777940000E-03 1.11199770000E-03 1.16899430000E-03 1.22891130000E-03 1.29189830000E-03 1.35811270000E-03 1.42771950000E-03 1.50089240000E-03 1.57781410000E-03 1.65867650000E-03 1.74368110000E-03 1.83304010000E-03 1.92697620000E-03 2.02572360000E-03 2.12952870000E-03 2.23865000000E-03 2.35335950000E-03 2.47394310000E-03 2.60070110000E-03 2.73394930000E-03 2.87401940000E-03 3.02126040000E-03 3.17603850000E-03 3.33873900000E-03 3.50976670000E-03 3.68954700000E-03 3.87852690000E-03 4.07717620000E-03 4.28598840000E-03 4.50548250000E-03 4.73620340000E-03 4.97872380000E-03 5.23364570000E-03 5.50160130000E-03 5.78325500000E-03 6.07930480000E-03 6.39048410000E-03 6.71756320000E-03 7.06135160000E-03 7.42269950000E-03 7.80249990000E-03 8.20169110000E-03 8.62125830000E-03 9.06223660000E-03 9.52571280000E-03 1.00128290000E-02 1.05247820000E-02 1.10628330000E-02 1.16283020000E-02 1.22225780000E-02 1.28471160000E-02 1.35034460000E-02 1.41931730000E-02 1.49179830000E-02 1.56796420000E-02 1.64800070000E-02 1.73210240000E-02 1.82047360000E-02 1.91332840000E-02 2.01089150000E-02 2.11339870000E-02 2.22109700000E-02 2.33424540000E-02 2.45311530000E-02 2.57799140000E-02 2.70917170000E-02 2.84696860000E-02 2.99170900000E-02 3.14373540000E-02 3.30340630000E-02 3.47109660000E-02 3.64719890000E-02 3.83212330000E-02 4.02629890000E-02 4.23017380000E-02 4.44421630000E-02 4.66891510000E-02 4.90478020000E-02 5.15234370000E-02 5.41216000000E-02 5.68480650000E-02 5.97088470000E-02 6.27101970000E-02 6.58586140000E-02 6.91608470000E-02 7.26238960000E-02 7.62550130000E-02 8.00617050000E-02 8.40517300000E-02 8.82330980000E-02 9.26140590000E-02 9.72031020000E-02 1.02008940000E-01 1.07040500000E-01 1.12306910000E-01 1.17817460000E-01 1.23581600000E-01 1.29608890000E-01 1.35908990000E-01 1.42491560000E-01 1.49366300000E-01 1.56542790000E-01 1.64030510000E-01 1.71838710000E-01 1.79976350000E-01 1.88451970000E-01 1.97273630000E-01 2.06448740000E-01 2.15983960000E-01 2.25885000000E-01 2.36156520000E-01 2.46801880000E-01 2.57823000000E-01 2.69220100000E-01 2.80991520000E-01 2.93133430000E-01 3.05639610000E-01 3.18501170000E-01 3.31706250000E-01 3.45239820000E-01 3.59083310000E-01 3.73214390000E-01 3.87606690000E-01 4.02229580000E-01 4.17047940000E-01 4.32021970000E-01 4.47107120000E-01 4.62253990000E-01 4.77408370000E-01 4.92511350000E-01 5.07499530000E-01 5.22305350000E-01 5.36857560000E-01 5.51081810000E-01 5.64901360000E-01 5.78237940000E-01 5.91012770000E-01 6.03147570000E-01 6.14565760000E-01 6.25193680000E-01 6.34961750000E-01 6.43805640000E-01 6.51667350000E-01 6.58496100000E-01 6.64249110000E-01 6.68892070000E-01 6.72399450000E-01 6.74754510000E-01 6.75949120000E-01 6.75983290000E-01 6.74864650000E-01 6.72607690000E-01 6.69233020000E-01 6.64766560000E-01 6.59238830000E-01 6.52684280000E-01 6.45140670000E-01 6.36648660000E-01 6.27251390000E-01 6.16994210000E-01 6.05924450000E-01 5.94091200000E-01 5.81545160000E-01 5.68338450000E-01 5.54524390000E-01 5.40157340000E-01 5.25292440000E-01 5.09985420000E-01 4.94292300000E-01 4.78269210000E-01 4.61972130000E-01 4.45456630000E-01 4.28777700000E-01 4.11989490000E-01 3.95145110000E-01 3.78296430000E-01 3.61493910000E-01 3.44786330000E-01 3.28220710000E-01 3.11842080000E-01 2.95693290000E-01 2.79814930000E-01 2.64245090000E-01 2.49019330000E-01 2.34170440000E-01 2.19728430000E-01 2.05720380000E-01 1.92170400000E-01 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