NORB, SHIFT 21 0.000000000000000E+000 1 Pu NOMBRE D ITERATIONS 1 PRECISIO N SUR LES ENERGIES 5.00E-06 FONCTIONS D ONDE 1.00E-05 POTENTIEL 1.00E-05 L INTEGRATION EST FAITE EN 781 POINTS LE PREMIER EST EGAL A 0.0001/94 ET LE PAS A 0.0129 DANS LE SOUS PROGRAMME RESLD LA PRECISION RELATIVE A OBTENIR SUR L ENERGIE EST 1.00E-07 ET LE NOMBRE D ESSAIS 30 IDEP= 1 ICUT= 1 IPRAT= 0 ORBITALE OCCUPATION ENERGIE DE DEPART 1S 2.00 -2.2090000E+03 2S 2.00 -5.5225000E+02 2P* 2.00 -5.5225000E+02 2P 4.00 -5.5225000E+02 3S 2.00 -2.4544444E+02 3P* 2.00 -2.4544444E+02 3P 4.00 -2.4544444E+02 3D* 4.00 -2.4544444E+02 3D 6.00 -2.4544444E+02 4S 2.00 -1.3806250E+02 4P* 2.00 -1.3806250E+02 4P 4.00 -1.3806250E+02 4D* 4.00 -1.3806250E+02 4D 6.00 -1.3806250E+02 5S 2.00 -8.8360000E+01 5P* 2.00 -8.8360000E+01 5P 4.00 -8.8360000E+01 4F* 6.00 -1.3806250E+02 4F 8.00 -1.3806250E+02 5D* 4.00 -8.8360000E+01 5D 6.00 -8.8360000E+01 0 LE PROCEDE DE PRATT EST UTILISE 1 Pu POTENTIEL DE DEPART -.940E+06 -.928E+06 -.916E+06 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-.225E+00 -.222E+00 -.219E+00 -.217E+00 -.214E+00 -.211E+00 -.208E+00 -.206E+00 -.203E+00 -.201E+00 -.198E+00 -.195E+00 -.193E+00 -.190E+00 -.188E+00 -.186E+00 -.183E+00 -.181E+00 1 Pu ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -4486.85439881130 eigenwert von 2 Zustand -844.464518908782 eigenwert von 3 Zustand -814.538301816019 eigenwert von 4 Zustand -657.802809788920 eigenwert von 5 Zustand -214.346670438398 eigenwert von 6 Zustand -200.802031268413 eigenwert von 7 Zustand -164.478992983878 eigenwert von 8 Zustand -143.330737088733 eigenwert von 9 Zustand -136.057456089724 eigenwert von 10 Zustand -55.0104117088442 eigenwert von 11 Zustand -48.8798065418831 eigenwert von 12 Zustand -39.3057094827401 eigenwert von 13 Zustand -29.6353157054795 eigenwert von 14 Zustand -27.8882289916813 eigenwert von 15 Zustand -12.0086411799247 eigenwert von 16 Zustand -9.59195678064548 eigenwert von 17 Zustand -7.26150253068895 eigenwert von 18 Zustand -15.1683646796627 eigenwert von 19 Zustand -14.7044696485638 eigenwert von 20 Zustand -3.73330233617657 eigenwert von 21 Zustand -3.38463659223458 1 9.74E+00 1.207252E+00 -4.335180E+00 -1.407744E+01 1.03E+00 -1.00E+00 0.000000E+00 1.012148E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Pu RADII AND CHARGE DENS. 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0.19745212D+01 0.15302865D-03 0.20111537D+01 0.15501436D-03 0.20484556D+01 0.15702583D-03 0.20864390D+01 0.15906340D-03 0.21251159D+01 0.16112742D-03 0.21644988D+01 0.16321821D-03 0.22046000D+01 0.16533614D-03 0.22454324D+01 0.16748155D-03 0.22870089D+01 0.16965480D-03 0.23293426D+01 0.17185625D-03 0.23724471D+01 0.17408626D-03 0.24163358D+01 0.17634521D-03 0.24610227D+01 0.17863347D-03 0.25065217D+01 0.18095143D-03 0.25528473D+01 0.18329946D-03 0.26000140D+01 0.18567796D-03 0.26480364D+01 0.18808733D-03 0.26969298D+01 0.19052796D-03 0.27467093D+01 0.19300026D-03 0.27973906D+01 0.19550464D-03 0.28489893D+01 0.19804151D-03 0.29015215D+01 0.20061131D-03 0.29550035D+01 0.20321445D-03 0.30094520D+01 0.20585137D-03 0.30648837D+01 0.20852250D-03 0.31213158D+01 0.21122830D-03 0.31787657D+01 0.21396921D-03 0.32372510D+01 0.21674568D-03 0.32967897D+01 0.21955818D-03 0.33574001D+01 0.22240718D-03 0.34191007D+01 0.22529315D-03 0.34819104D+01 0.22821656D-03 0.35458482D+01 0.23117791D-03 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-8.4446452E+02 2.3357162E-05 3.6079028E-03 5.4620382E-02 3.2507053E+01 2P* -8.1453830E+02 1.3296351E-05 2.4763435E-03 4.4119813E-02 3.2366334E+01 2P -6.5780281E+02 2.6058400E-05 3.6396133E-03 5.4636626E-02 2.3363014E+01 3.8215204E+04 3S -2.1434667E+02 8.3034437E-04 2.3362324E-02 1.4236992E-01 1.1787042E+01 3P* -2.0080203E+02 7.0245245E-04 2.0955716E-02 1.3362640E-01 1.1670208E+01 3P -1.6447899E+02 1.1461603E-03 2.7055027E-02 1.5251313E-01 9.2868588E+00 9.5682770E+03 3D* -1.4333074E+02 7.2132119E-04 2.0243574E-02 1.3133535E-01 9.1904776E+00 1.7064183E+03 3D -1.3605746E+02 8.2869837E-04 2.1858459E-02 1.3687231E-01 8.7214447E+00 1.2964496E+03 4S -5.5010412E+01 1.6669197E-02 1.0785602E-01 3.0887471E-01 5.0519432E+00 4P* -4.8879807E+01 1.6904898E-02 1.0736777E-01 3.0692653E-01 4.9344641E+00 4P -3.9305709E+01 2.6301469E-02 1.3439035E-01 3.4395348E-01 4.1163340E+00 2.5547133E+03 4D* -2.9635316E+01 2.7251620E-02 1.3303859E-01 3.3978728E-01 3.9383939E+00 4.2943918E+02 4D -2.7888229E+01 3.0747171E-02 1.4152663E-01 3.5075204E-01 3.7736546E+00 3.1728858E+02 5S -1.2008641E+01 2.9223784E-01 4.5693844E-01 6.3928433E-01 2.2564374E+00 5P* -9.5919568E+00 3.4777677E-01 4.9418560E-01 6.6337794E-01 2.1427380E+00 5P -7.2615025E+00 5.4481500E-01 6.1814846E-01 7.4219014E-01 1.8381502E+00 6.1974435E+02 4F* -1.5168365E+01 3.1561551E-02 1.3345640E-01 3.3788993E-01 3.5153058E+00 7.9395996E+01 4F -1.4704470E+01 3.3450732E-02 1.3757557E-01 3.4325299E-01 3.4534251E+00 7.4096015E+01 5D* -3.7333023E+00 8.9586416E-01 7.7167725E-01 8.2447912E-01 1.6192112E+00 8.7276241E+01 5D -3.3846366E+00 1.0236695E+00 8.2395808E-01 8.5192459E-01 1.5568121E+00 6.3562745E+01 0 ET=-2.8685002E+04 EC= 3.7651647E+04 EE= 1.0071007E+04 EX=-4.6145731E+02 EN=-7.5946199E+04 1 Pu 0 INTEGRALES DE RECOUVREMENT 2S 1S 0.0000000 3S 1S 0.0000000 3S 2S 0.0000000 3P* 2P* 0.0000000 3P 2P 0.0000000 4S 1S 0.0000000 4S 2S 0.0000000 4S 3S 0.0000000 4P* 2P* 0.0000000 4P* 3P* 0.0000000 4P 2P 0.0000000 4P 3P 0.0000000 4D* 3D* 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PN-1 PN eigenwert von 1 Zustand -18.1768650511449 1 7.17E+00 1.879813E-01 -2.874203E+01 -3.590831E+01 1.36E-01 -1.00E+00 0.000000E+00 1.007316E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 O RADII AND CHARGE DENS. 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0.12901730D-09 0.24001280D+01 0.89450870D-10 0.24308883D+01 0.61728159D-10 0.24620428D+01 0.42395346D-10 0.24935966D+01 0.28977625D-10 0.25255548D+01 0.19710176D-10 0.25579226D+01 0.13340571D-10 0.25907052D+01 0.89843647D-11 0.26239080D+01 0.60200776D-11 0.26575363D+01 0.40132036D-11 0.26915955D+01 0.26615056D-11 0.27260913D+01 0.17558352D-11 0.27610292D+01 0.11522166D-11 0.27964148D+01 0.75206220D-12 0.28322540D+01 0.48822546D-12 0.28685524D+01 0.31522171D-12 0.29053161D+01 0.20240910D-12 0.29425510D+01 0.12925971D-12 0.29802630D+01 0.82098618D-13 0.30184584D+01 0.51868390D-13 0.30571433D+01 0.32603627D-13 0.30963239D+01 0.20402009D-13 0.31360067D+01 0.12716483D-13 0.31761981D+01 0.78954954D-14 0.32169046D+01 0.49313738D-14 0.32581328D+01 0.30252342D-14 0.32998894D+01 0.18286459D-14 0.33421811D+01 0.10982425D-14 0.33850149D+01 0.65528311D-15 0.34283976D+01 0.38840558D-15 ENERGIE (R4) (R2) (R) (R-1) (R-3) 1S -1.8176865E+01 7.6044886E-03 5.3813197E-02 1.9952714E-01 7.6357744E+00 0 ET=-4.4451219E+01 EC= 7.2330120E+01 EE= 9.4507075E+00 EX=-4.0596561E+00 EN=-1.2217239E+02