Generated using unknown code Author: unknown Generation date: as well Info: automatically converted from CPMD format 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 4.00 0.00000000000 0.00000000000 0.00000000000 0 Version Number O Element NC Norm - Conserving pseudopotential F Nonlinear Core Correction BLYP Exchange-Correlation functional 6.00000000000 Z valence 0.00000000000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 631 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 4.00 7.81250000000E-04 7.94921880000E-04 8.08833010000E-04 8.22987590000E-04 8.37389870000E-04 8.52044190000E-04 8.66954960000E-04 8.82126680000E-04 8.97563890000E-04 9.13271260000E-04 9.29253510000E-04 9.45515440000E-04 9.62061960000E-04 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2.66696631145E+00 2.70272309868E+00 2.73807388244E+00 2.77292570232E+00 2.80717847259E+00 2.84072316137E+00 2.87344265892E+00 2.90521151088E+00 2.93589399207E+00 2.96534504330E+00 2.99340886264E+00 3.01991990205E+00 3.04470129289E+00 3.06756517695E+00 3.08831304292E+00 3.10673336480E+00 3.12260491880E+00 3.13569478587E+00 3.14575855870E+00 3.15254124615E+00 3.15577819842E+00 3.15519586066E+00 3.15051239675E+00 3.14143855169E+00 3.12768149246E+00 3.10894405251E+00 3.08493008905E+00 3.05534480699E+00 3.01990012845E+00 2.97831718062E+00 2.93033215327E+00 2.87569933855E+00 2.81419976165E+00 2.74564424591E+00 2.66988278282E+00 2.58681021323E+00 2.49637604775E+00 2.39859119582E+00 2.29353778058E+00 2.18137803170E+00 2.06236349310E+00 1.93684404496E+00 1.80527580057E+00 1.66823022285E+00 1.52639913524E+00 1.38060038900E+00 1.23178041850E+00 1.08101482855E+00 9.29505511032E-01 7.78572490702E-01 6.29643822096E-01 4.84238816885E-01 3.43946564814E-01 2.10398281010E-01 8.52334775295E-02 -2.99390753571E-02 -1.33587252981E-01 -2.24306142292E-01 -3.00872832351E-01 -3.62304876782E-01 -4.07919156340E-01 -4.37390251547E-01 -4.50805276609E-01 -4.48710691440E-01 -4.32149230638E-01 -4.02680325001E-01 -3.62380856016E-01 -3.13818038415E-01 -2.59989194461E-01 -2.04218618296E-01 -1.50002386604E-01 -1.00787627359E-01 -5.96722721246E-02 -2.90059870947E-02 -9.87061641465E-03 -1.41290799646E-03 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 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 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 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 6.47806565559E+00 2S 0 2.00 Wavefunction 2.55544090000E-04 2.60016110000E-04 2.64566400000E-04 2.69196310000E-04 2.73907240000E-04 2.78700620000E-04 2.83577880000E-04 2.88540490000E-04 2.93589950000E-04 2.98727780000E-04 3.03955520000E-04 3.09274740000E-04 3.14687050000E-04 3.20194080000E-04 3.25797480000E-04 3.31498940000E-04 3.37300170000E-04 3.43202930000E-04 3.49208980000E-04 3.55320150000E-04 3.61538250000E-04 3.67865180000E-04 3.74302830000E-04 3.80853130000E-04 3.87518070000E-04 3.94299650000E-04 4.01199900000E-04 4.08220910000E-04 4.15364780000E-04 4.22633680000E-04 4.30029780000E-04 4.37555310000E-04 4.45212550000E-04 4.53003780000E-04 4.60931360000E-04 4.68997680000E-04 4.77205160000E-04 4.85556270000E-04 4.94053520000E-04 5.02699480000E-04 5.11496740000E-04 5.20447960000E-04 5.29555830000E-04 5.38823080000E-04 5.48252510000E-04 5.57846960000E-04 5.67609320000E-04 5.77542520000E-04 5.87649550000E-04 5.97933460000E-04 6.08397330000E-04 6.19044330000E-04 6.29877650000E-04 6.40900560000E-04 6.52116370000E-04 6.63528460000E-04 6.75140270000E-04 6.86955290000E-04 6.98977070000E-04 7.11209240000E-04 7.23655470000E-04 7.36319520000E-04 7.49205190000E-04 7.62316370000E-04 7.75657000000E-04 7.89231090000E-04 8.03042740000E-04 8.17096090000E-04 8.31395390000E-04 8.45944920000E-04 8.60749080000E-04 8.75812330000E-04 8.91139180000E-04 9.06734260000E-04 9.22602270000E-04 9.38747970000E-04 9.55176240000E-04 9.71892000000E-04 9.88900310000E-04 1.00620630000E-03 1.02381510000E-03 1.04173210000E-03 1.05996260000E-03 1.07851220000E-03 1.09738650000E-03 1.11659100000E-03 1.13613160000E-03 1.15601420000E-03 1.17624480000E-03 1.19682940000E-03 1.21777430000E-03 1.23908580000E-03 1.26077020000E-03 1.28283410000E-03 1.30528410000E-03 1.32812710000E-03 1.35136980000E-03 1.37501930000E-03 1.39908270000E-03 1.42356720000E-03 1.44848020000E-03 1.47382930000E-03 1.49962200000E-03 1.52586610000E-03 1.55256950000E-03 1.57974020000E-03 1.60738650000E-03 1.63551670000E-03 1.66413920000E-03 1.69326260000E-03 1.72289570000E-03 1.75304750000E-03 1.78372700000E-03 1.81494340000E-03 1.84670620000E-03 1.87902490000E-03 1.91190920000E-03 1.94536910000E-03 1.97941470000E-03 2.01405610000E-03 2.04930380000E-03 2.08516840000E-03 2.12166080000E-03 2.15879190000E-03 2.19657290000E-03 2.23501520000E-03 2.27413040000E-03 2.31393020000E-03 2.35442660000E-03 2.39563190000E-03 2.43755830000E-03 2.48021870000E-03 2.52362580000E-03 2.56779270000E-03 2.61273270000E-03 2.65845930000E-03 2.70498640000E-03 2.75232790000E-03 2.80049800000E-03 2.84951150000E-03 2.89938290000E-03 2.95012730000E-03 3.00176000000E-03 3.05429660000E-03 3.10775280000E-03 3.16214490000E-03 3.21748920000E-03 3.27380240000E-03 3.33110150000E-03 3.38940360000E-03 3.44872650000E-03 3.50908800000E-03 3.57050630000E-03 3.63299990000E-03 3.69658760000E-03 3.76128870000E-03 3.82712270000E-03 3.89410930000E-03 3.96226880000E-03 4.03162180000E-03 4.10218920000E-03 4.17399230000E-03 4.24705270000E-03 4.32139250000E-03 4.39703420000E-03 4.47400040000E-03 4.55231460000E-03 4.63200030000E-03 4.71308150000E-03 4.79558280000E-03 4.87952910000E-03 4.96494570000E-03 5.05185850000E-03 5.14029350000E-03 5.23027770000E-03 5.32183820000E-03 5.41500260000E-03 5.50979910000E-03 5.60625630000E-03 5.70440350000E-03 5.80427030000E-03 5.90588680000E-03 6.00928390000E-03 6.11449270000E-03 6.22154520000E-03 6.33047380000E-03 6.44131130000E-03 6.55409140000E-03 6.66884820000E-03 6.78561650000E-03 6.90443150000E-03 7.02532950000E-03 7.14834690000E-03 7.27352100000E-03 7.40088990000E-03 7.53049210000E-03 7.66236700000E-03 7.79655460000E-03 7.93309560000E-03 8.07203150000E-03 8.21340450000E-03 8.35725750000E-03 8.50363430000E-03 8.65257930000E-03 8.80413790000E-03 8.95835620000E-03 9.11528100000E-03 9.27496030000E-03 9.43744260000E-03 9.60277740000E-03 9.77101530000E-03 9.94220730000E-03 1.01164060000E-02 1.02936640000E-02 1.04740360000E-02 1.06575770000E-02 1.08443440000E-02 1.10343920000E-02 1.12277810000E-02 1.14245690000E-02 1.16248180000E-02 1.18285870000E-02 1.20359410000E-02 1.22469420000E-02 1.24616560000E-02 1.26801480000E-02 1.29024860000E-02 1.31287380000E-02 1.33589740000E-02 1.35932650000E-02 1.38316830000E-02 1.40743020000E-02 1.43211970000E-02 1.45724440000E-02 1.48281220000E-02 1.50883100000E-02 1.53530870000E-02 1.56225380000E-02 1.58967450000E-02 1.61757950000E-02 1.64597730000E-02 1.67487700000E-02 1.70428740000E-02 1.73421790000E-02 1.76467780000E-02 1.79567680000E-02 1.82722440000E-02 1.85933070000E-02 1.89200580000E-02 1.92526010000E-02 1.95910400000E-02 1.99354830000E-02 2.02860390000E-02 2.06428200000E-02 2.10059390000E-02 2.13755140000E-02 2.17516610000E-02 2.21345010000E-02 2.25241580000E-02 2.29207580000E-02 2.33244270000E-02 2.37352980000E-02 2.41535020000E-02 2.45791770000E-02 2.50124610000E-02 2.54534960000E-02 2.59024260000E-02 2.63594000000E-02 2.68245670000E-02 2.72980820000E-02 2.77801010000E-02 2.82707870000E-02 2.87703010000E-02 2.92788120000E-02 2.97964920000E-02 3.03235140000E-02 3.08600570000E-02 3.14063040000E-02 3.19624420000E-02 3.25286610000E-02 3.31051570000E-02 3.36921280000E-02 3.42897790000E-02 3.48983180000E-02 3.55179600000E-02 3.61489210000E-02 3.67914270000E-02 3.74457050000E-02 3.81119900000E-02 3.87905210000E-02 3.94815450000E-02 4.01853120000E-02 4.09020800000E-02 4.16321130000E-02 4.23756820000E-02 4.31330640000E-02 4.39045430000E-02 4.46904100000E-02 4.54909640000E-02 4.63065120000E-02 4.71373680000E-02 4.79838550000E-02 4.88463030000E-02 4.97250520000E-02 5.06204520000E-02 5.15328610000E-02 5.24626460000E-02 5.34101850000E-02 5.43758660000E-02 5.53600890000E-02 5.63632640000E-02 5.73858100000E-02 5.84281630000E-02 5.94907670000E-02 6.05740800000E-02 6.16785720000E-02 6.28047290000E-02 6.39530490000E-02 6.51240440000E-02 6.63182400000E-02 6.75361820000E-02 6.87784260000E-02 7.00455470000E-02 7.13381360000E-02 7.26568000000E-02 7.40021640000E-02 7.53748720000E-02 7.67755830000E-02 7.82049790000E-02 7.96637580000E-02 8.11526390000E-02 8.26723580000E-02 8.42236740000E-02 8.58073630000E-02 8.74242250000E-02 8.90750760000E-02 9.07607550000E-02 9.24821190000E-02 9.42400460000E-02 9.60354310000E-02 9.78691880000E-02 9.97422510000E-02 1.01655570000E-01 1.03610100000E-01 1.05606820000E-01 1.07646720000E-01 1.09730800000E-01 1.11860060000E-01 1.14035500000E-01 1.16258120000E-01 1.18528930000E-01 1.20848900000E-01 1.23219020000E-01 1.25640210000E-01 1.28113410000E-01 1.30639480000E-01 1.33219250000E-01 1.35853480000E-01 1.38542860000E-01 1.41288000000E-01 1.44089400000E-01 1.46947440000E-01 1.49862370000E-01 1.52834270000E-01 1.55863060000E-01 1.58948440000E-01 1.62089870000E-01 1.65286590000E-01 1.68537500000E-01 1.71841220000E-01 1.75195980000E-01 1.78599650000E-01 1.82049630000E-01 1.85542890000E-01 1.89075870000E-01 1.92644450000E-01 1.96243930000E-01 1.99868990000E-01 2.03513630000E-01 2.07171160000E-01 2.10834150000E-01 2.14494420000E-01 2.18143030000E-01 2.21770270000E-01 2.25365620000E-01 2.28917870000E-01 2.32415040000E-01 2.35844510000E-01 2.39193060000E-01 2.42446930000E-01 2.45592020000E-01 2.48613920000E-01 2.51498150000E-01 2.54230300000E-01 2.56796240000E-01 2.59182340000E-01 2.61375720000E-01 2.63364440000E-01 2.65137790000E-01 2.66686510000E-01 2.68002970000E-01 2.69081380000E-01 2.69917890000E-01 2.70510730000E-01 2.70860140000E-01 2.70968350000E-01 2.70839400000E-01 2.70478850000E-01 2.69893510000E-01 2.69090920000E-01 2.68078900000E-01 2.66865030000E-01 2.65456180000E-01 2.63858220000E-01 2.62075920000E-01 2.60113330000E-01 2.57974530000E-01 2.55663950000E-01 2.53186270000E-01 2.50546460000E-01 2.47749740000E-01 2.44801590000E-01 2.41707710000E-01 2.38474020000E-01 2.35106670000E-01 2.31611950000E-01 2.27996360000E-01 2.24266530000E-01 2.20429240000E-01 2.16491370000E-01 2.12459930000E-01 2.08341970000E-01 2.04144650000E-01 1.99875150000E-01 1.95540680000E-01 1.91148480000E-01 1.86705770000E-01 1.82219740000E-01 1.77697570000E-01 1.73146360000E-01 1.68573140000E-01 1.63984860000E-01 1.59388350000E-01 1.54790350000E-01 1.50197440000E-01 1.45616070000E-01 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