# Generated PP for nonlocal potential probe: # D = -12.5 Ry # # Comment: # Due to an unnormalized projector in ... # it is necessary to multiply the D parameter with a factor of (1/1.78502e-4) # for normalized results. This normalization scales the parameter range for # the D parameter. The behaviour of the KS levels after scf loop remain # as shown in Fig 1(b). # 0 Version Number H Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction SLA PZ PBE PBE 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 511 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 1.00 1P 1 0.00 6.25000000000E-03 6.35937500000E-03 6.47066410000E-03 6.58390070000E-03 6.69911890000E-03 6.81635350000E-03 6.93563970000E-03 7.05701340000E-03 7.18051110000E-03 7.30617010000E-03 7.43402810000E-03 7.56412360000E-03 7.69649570000E-03 7.83118440000E-03 7.96823010000E-03 8.10767410000E-03 8.24955840000E-03 8.39392570000E-03 8.54081940000E-03 8.69028380000E-03 8.84236370000E-03 8.99710510000E-03 9.15455440000E-03 9.31475910000E-03 9.47776740000E-03 9.64362830000E-03 9.81239180000E-03 9.98410870000E-03 1.01588310000E-02 1.03366100000E-02 1.05175010000E-02 1.07015570000E-02 1.08888340000E-02 1.10793890000E-02 1.12732780000E-02 1.14705610000E-02 1.16712950000E-02 1.18755430000E-02 1.20833650000E-02 1.22948240000E-02 1.25099830000E-02 1.27289080000E-02 1.29516640000E-02 1.31783180000E-02 1.34089390000E-02 1.36435950000E-02 1.38823580000E-02 1.41252990000E-02 1.43724920000E-02 1.46240110000E-02 1.48799310000E-02 1.51403300000E-02 1.54052850000E-02 1.56748780000E-02 1.59491880000E-02 1.62282990000E-02 1.65122940000E-02 1.68012590000E-02 1.70952810000E-02 1.73944490000E-02 1.76988520000E-02 1.80085820000E-02 1.83237320000E-02 1.86443970000E-02 1.89706740000E-02 1.93026610000E-02 1.96404570000E-02 1.99841650000E-02 2.03338880000E-02 2.06897310000E-02 2.10518020000E-02 2.14202080000E-02 2.17950620000E-02 2.21764750000E-02 2.25645640000E-02 2.29594440000E-02 2.33612340000E-02 2.37700550000E-02 2.41860310000E-02 2.46092870000E-02 2.50399500000E-02 2.54781490000E-02 2.59240160000E-02 2.63776870000E-02 2.68392960000E-02 2.73089840000E-02 2.77868910000E-02 2.82731620000E-02 2.87679420000E-02 2.92713810000E-02 2.97836300000E-02 3.03048440000E-02 3.08351780000E-02 3.13747940000E-02 3.19238530000E-02 3.24825200000E-02 3.30509640000E-02 3.36293560000E-02 3.42178700000E-02 3.48166830000E-02 3.54259750000E-02 3.60459290000E-02 3.66767330000E-02 3.73185760000E-02 3.79716510000E-02 3.86361550000E-02 3.93122870000E-02 4.00002520000E-02 4.07002570000E-02 4.14125110000E-02 4.21372300000E-02 4.28746320000E-02 4.36249380000E-02 4.43883740000E-02 4.51651710000E-02 4.59555610000E-02 4.67597840000E-02 4.75780800000E-02 4.84106960000E-02 4.92578830000E-02 5.01198960000E-02 5.09969950000E-02 5.18894420000E-02 5.27975070000E-02 5.37214640000E-02 5.46615890000E-02 5.56181670000E-02 5.65914850000E-02 5.75818360000E-02 5.85895180000E-02 5.96148350000E-02 6.06580940000E-02 6.17196110000E-02 6.27997040000E-02 6.38986990000E-02 6.50169260000E-02 6.61547220000E-02 6.73124300000E-02 6.84903980000E-02 6.96889800000E-02 7.09085370000E-02 7.21494360000E-02 7.34120510000E-02 7.46967620000E-02 7.60039550000E-02 7.73340250000E-02 7.86873700000E-02 8.00643990000E-02 8.14655260000E-02 8.28911730000E-02 8.43417680000E-02 8.58177490000E-02 8.73195600000E-02 8.88476520000E-02 9.04024860000E-02 9.19845300000E-02 9.35942590000E-02 9.52321580000E-02 9.68987210000E-02 9.85944490000E-02 1.00319850000E-01 1.02075450000E-01 1.03861770000E-01 1.05679350000E-01 1.07528740000E-01 1.09410490000E-01 1.11325180000E-01 1.13273370000E-01 1.15255650000E-01 1.17272620000E-01 1.19324890000E-01 1.21413080000E-01 1.23537810000E-01 1.25699720000E-01 1.27899470000E-01 1.30137710000E-01 1.32415120000E-01 1.34732380000E-01 1.37090200000E-01 1.39489280000E-01 1.41930340000E-01 1.44414120000E-01 1.46941370000E-01 1.49512840000E-01 1.52129320000E-01 1.54791580000E-01 1.57500430000E-01 1.60256690000E-01 1.63061180000E-01 1.65914750000E-01 1.68818260000E-01 1.71772580000E-01 1.74778600000E-01 1.77837220000E-01 1.80949380000E-01 1.84115990000E-01 1.87338020000E-01 1.90616440000E-01 1.93952220000E-01 1.97346390000E-01 2.00799950000E-01 2.04313950000E-01 2.07889440000E-01 2.11527510000E-01 2.15229240000E-01 2.18995750000E-01 2.22828180000E-01 2.26727670000E-01 2.30695400000E-01 2.34732570000E-01 2.38840390000E-01 2.43020100000E-01 2.47272950000E-01 2.51600230000E-01 2.56003230000E-01 2.60483290000E-01 2.65041750000E-01 2.69679980000E-01 2.74399380000E-01 2.79201360000E-01 2.84087390000E-01 2.89058920000E-01 2.94117450000E-01 2.99264500000E-01 3.04501630000E-01 3.09830410000E-01 3.15252440000E-01 3.20769360000E-01 3.26382830000E-01 3.32094530000E-01 3.37906180000E-01 3.43819540000E-01 3.49836380000E-01 3.55958520000E-01 3.62187790000E-01 3.68526080000E-01 3.74975280000E-01 3.81537350000E-01 3.88214250000E-01 3.95008000000E-01 4.01920640000E-01 4.08954250000E-01 4.16110950000E-01 4.23392900000E-01 4.30802270000E-01 4.38341310000E-01 4.46012280000E-01 4.53817500000E-01 4.61759310000E-01 4.69840090000E-01 4.78062290000E-01 4.86428380000E-01 4.94940880000E-01 5.03602350000E-01 5.12415390000E-01 5.21382660000E-01 5.30506850000E-01 5.39790720000E-01 5.49237060000E-01 5.58848710000E-01 5.68628560000E-01 5.78579560000E-01 5.88704700000E-01 5.99007040000E-01 6.09489660000E-01 6.20155730000E-01 6.31008450000E-01 6.42051100000E-01 6.53287000000E-01 6.64719520000E-01 6.76352110000E-01 6.88188270000E-01 7.00231570000E-01 7.12485620000E-01 7.24954120000E-01 7.37640820000E-01 7.50549530000E-01 7.63684150000E-01 7.77048620000E-01 7.90646970000E-01 8.04483290000E-01 8.18561750000E-01 8.32886580000E-01 8.47462090000E-01 8.62292680000E-01 8.77382800000E-01 8.92737000000E-01 9.08359900000E-01 9.24256200000E-01 9.40430680000E-01 9.56888220000E-01 9.73633760000E-01 9.90672350000E-01 1.00800910000E+00 1.02564930000E+00 1.04359810000E+00 1.06186110000E+00 1.08044370000E+00 1.09935140000E+00 1.11859010000E+00 1.13816540000E+00 1.15808330000E+00 1.17834980000E+00 1.19897090000E+00 1.21995290000E+00 1.24130210000E+00 1.26302480000E+00 1.28512780000E+00 1.30761750000E+00 1.33050080000E+00 1.35378460000E+00 1.37747580000E+00 1.40158160000E+00 1.42610930000E+00 1.45106620000E+00 1.47645990000E+00 1.50229790000E+00 1.52858820000E+00 1.55533850000E+00 1.58255690000E+00 1.61025160000E+00 1.63843100000E+00 1.66710360000E+00 1.69627790000E+00 1.72596270000E+00 1.75616710000E+00 1.78690000000E+00 1.81817080000E+00 1.84998880000E+00 1.88236360000E+00 1.91530490000E+00 1.94882280000E+00 1.98292720000E+00 2.01762840000E+00 2.05293690000E+00 2.08886330000E+00 2.12541840000E+00 2.16261320000E+00 2.20045890000E+00 2.23896700000E+00 2.27814890000E+00 2.31801650000E+00 2.35858180000E+00 2.39985700000E+00 2.44185450000E+00 2.48458690000E+00 2.52806720000E+00 2.57230840000E+00 2.61732370000E+00 2.66312690000E+00 2.70973160000E+00 2.75715190000E+00 2.80540210000E+00 2.85449660000E+00 2.90445030000E+00 2.95527820000E+00 3.00699560000E+00 3.05961800000E+00 3.11316130000E+00 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8.22486970000E+00 8.36880490000E+00 8.51525900000E+00 8.66427600000E+00 8.81590090000E+00 8.97017910000E+00 9.12715730000E+00 9.28688250000E+00 9.44940300000E+00 9.61476750000E+00 9.78302600000E+00 9.95422890000E+00 1.01284280000E+01 1.03056750000E+01 1.04860250000E+01 1.06695300000E+01 1.08562470000E+01 1.10462310000E+01 1.12395400000E+01 1.14362320000E+01 1.16363660000E+01 1.18400030000E+01 1.20472030000E+01 1.22580290000E+01 1.24725440000E+01 1.26908140000E+01 1.29129030000E+01 1.31388790000E+01 1.33688090000E+01 1.36027630000E+01 1.38408120000E+01 1.40830260000E+01 1.43294790000E+01 1.45802450000E+01 1.48353990000E+01 1.50950190000E+01 1.53591810000E+01 1.56279670000E+01 1.59014570000E+01 1.61797320000E+01 1.64628770000E+01 1.67509780000E+01 1.70441200000E+01 1.73423920000E+01 1.76458840000E+01 1.79546870000E+01 1.82688940000E+01 1.85885990000E+01 1.89139000000E+01 1.92448930000E+01 1.95816790000E+01 1.99243580000E+01 2.02730340000E+01 2.06278130000E+01 2.09887990000E+01 2.13561030000E+01 2.17298350000E+01 2.21101070000E+01 2.24970340000E+01 2.28907320000E+01 2.32913200000E+01 2.36989180000E+01 2.41136490000E+01 2.45356380000E+01 2.49650120000E+01 2.54018990000E+01 2.58464330000E+01 2.62987450000E+01 2.67589730000E+01 2.72272550000E+01 2.77037320000E+01 2.81885470000E+01 2.86818470000E+01 2.91837790000E+01 2.96944960000E+01 3.02141490000E+01 3.07428970000E+01 3.12808970000E+01 3.18283130000E+01 3.23853090000E+01 3.29520520000E+01 3.35287120000E+01 3.41154650000E+01 3.47124860000E+01 3.53199540000E+01 3.59380530000E+01 3.65669690000E+01 3.72068910000E+01 3.78580120000E+01 3.85205270000E+01 3.91946360000E+01 3.98805420000E+01 4.05784520000E+01 4.12885750000E+01 4.20111250000E+01 4.27463190000E+01 4.34943800000E+01 3.90625000000E-05 3.97460937500E-05 4.04416506250E-05 4.11493793750E-05 4.18694931250E-05 4.26022093750E-05 4.33477481250E-05 4.41063337500E-05 4.48781943750E-05 4.56635631250E-05 4.64626756250E-05 4.72757725000E-05 4.81030981250E-05 4.89449025000E-05 4.98014381250E-05 5.06729631250E-05 5.15597400000E-05 5.24620356250E-05 5.33801212500E-05 5.43142737500E-05 5.52647731250E-05 5.62319068750E-05 5.72159650000E-05 5.82172443750E-05 5.92360462500E-05 6.02726768750E-05 6.13274487500E-05 6.24006793750E-05 6.34926937500E-05 6.46038125000E-05 6.57343812500E-05 6.68847312500E-05 6.80552125000E-05 6.92461812500E-05 7.04579875000E-05 7.16910062500E-05 7.29455937500E-05 7.42221437500E-05 7.55210312500E-05 7.68426500000E-05 7.81873937500E-05 7.95556750000E-05 8.09479000000E-05 8.23644875000E-05 8.38058687500E-05 8.52724687500E-05 8.67647375000E-05 8.82831187500E-05 8.98280750000E-05 9.14000687500E-05 9.29995687500E-05 9.46270625000E-05 9.62830312500E-05 9.79679875000E-05 9.96824250000E-05 1.01426868750E-04 1.03201837500E-04 1.05007868750E-04 1.06845506250E-04 1.08715306250E-04 1.10617825000E-04 1.12553637500E-04 1.14523325000E-04 1.16527481250E-04 1.18566712500E-04 1.20641631250E-04 1.22752856250E-04 1.24901031250E-04 1.27086800000E-04 1.29310818750E-04 1.31573762500E-04 1.33876300000E-04 1.36219137500E-04 1.38602968750E-04 1.41028525000E-04 1.43496525000E-04 1.46007712500E-04 1.48562843750E-04 1.51162693750E-04 1.53808043750E-04 1.56499687500E-04 1.59238431250E-04 1.62025100000E-04 1.64860543750E-04 1.67745600000E-04 1.70681150000E-04 1.73668068750E-04 1.76707262500E-04 1.79799637500E-04 1.82946131250E-04 1.86147687500E-04 1.89405275000E-04 1.92719862500E-04 1.96092462500E-04 1.99524081250E-04 2.03015750000E-04 2.06568525000E-04 2.10183475000E-04 2.13861687500E-04 2.17604268750E-04 2.21412343750E-04 2.25287056250E-04 2.29229581250E-04 2.33241100000E-04 2.37322818750E-04 2.41475968750E-04 2.45701793750E-04 2.50001575000E-04 2.54376606250E-04 2.58828193750E-04 2.63357687500E-04 2.67966450000E-04 2.72655862500E-04 2.77427337500E-04 2.82282318750E-04 2.87222256250E-04 2.92248650000E-04 2.97363000000E-04 3.02566850000E-04 3.07861768750E-04 3.13249350000E-04 3.18731218750E-04 3.24309012500E-04 3.29984418750E-04 3.35759150000E-04 3.41634931250E-04 3.47613543750E-04 3.53696781250E-04 3.59886475000E-04 3.66184487500E-04 3.72592718750E-04 3.79113087500E-04 3.85747568750E-04 3.92498150000E-04 3.99366868750E-04 4.06355787500E-04 4.13467012500E-04 4.20702687500E-04 4.28064987500E-04 4.35556125000E-04 4.43178356250E-04 4.50933975000E-04 4.58825318750E-04 4.66854762500E-04 4.75024718750E-04 4.83337656250E-04 4.91796062500E-04 5.00402493750E-04 5.09159537500E-04 5.18069831250E-04 5.27136050000E-04 5.36360931250E-04 5.45747250000E-04 5.55297825000E-04 5.65015537500E-04 5.74903312500E-04 5.84964118750E-04 5.95200987500E-04 6.05617006250E-04 6.16215306250E-04 6.26999062500E-04 6.37971562500E-04 6.49136062500E-04 6.60495937500E-04 6.72054625000E-04 6.83815562500E-04 6.95782375000E-04 7.07958562500E-04 7.20347812500E-04 7.32953875000E-04 7.45780562500E-04 7.58831750000E-04 7.72111312500E-04 7.85623250000E-04 7.99371687500E-04 8.13360687500E-04 8.27594500000E-04 8.42077375000E-04 8.56813750000E-04 8.71808000000E-04 8.87064625000E-04 9.02588250000E-04 9.18383562500E-04 9.34455250000E-04 9.50808250000E-04 9.67447375000E-04 9.84377687500E-04 1.00160431250E-03 1.01913237500E-03 1.03696718750E-03 1.05511412500E-03 1.07357862500E-03 1.09236625000E-03 1.11148262500E-03 1.13093362500E-03 1.15072493750E-03 1.17086262500E-03 1.19135275000E-03 1.21220137500E-03 1.23341493750E-03 1.25499968750E-03 1.27696218750E-03 1.29930900000E-03 1.32204693750E-03 1.34518275000E-03 1.36872343750E-03 1.39267612500E-03 1.41704793750E-03 1.44184625000E-03 1.46707856250E-03 1.49275243750E-03 1.51887562500E-03 1.54545593750E-03 1.57250143750E-03 1.60002018750E-03 1.62802056250E-03 1.65651093750E-03 1.68549987500E-03 1.71499612500E-03 1.74500850000E-03 1.77554618750E-03 1.80661825000E-03 1.83823406250E-03 1.87040312500E-03 1.90313518750E-03 1.93644006250E-03 1.97032775000E-03 2.00480850000E-03 2.03989268750E-03 2.07559081250E-03 2.11191362500E-03 2.14887212500E-03 2.18647737500E-03 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