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 0.0130 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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-.682E-01 -.673E-01 -.664E-01 -.656E-01 -.647E-01 -.639E-01 -.631E-01 -.623E-01 -.615E-01 -.607E-01 -.599E-01 -.591E-01 -.584E-01 -.576E-01 -.569E-01 -.561E-01 -.554E-01 -.547E-01 1 Pu ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -4485.24610187157 eigenwert von 2 Zustand -844.023604040191 eigenwert von 3 Zustand -814.183786532181 eigenwert von 4 Zustand -657.527108801603 eigenwert von 5 Zustand -214.076098049769 eigenwert von 6 Zustand -200.558575088270 eigenwert von 7 Zustand -164.256354488117 eigenwert von 8 Zustand -143.119781214648 eigenwert von 9 Zustand -135.848020925184 eigenwert von 10 Zustand -54.7754161457916 eigenwert von 11 Zustand -48.6578536537256 eigenwert von 12 Zustand -39.0856814372527 eigenwert von 13 Zustand -29.4261037606470 eigenwert von 14 Zustand -27.6791529663269 eigenwert von 15 Zustand -11.8083304688323 eigenwert von 16 Zustand -9.39474044608467 eigenwert von 17 Zustand -7.06029875796483 eigenwert von 18 Zustand -14.9675837773245 eigenwert von 19 Zustand -14.5037030256075 eigenwert von 20 Zustand -3.53770077406420 eigenwert von 21 Zustand -3.18917960831222 1 9.91E+00 1.212404E+00 -4.105360E+00 -1.401201E+01 1.03E+00 -1.00E+00 0.000000E+00 1.007267E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Pu RADII AND CHARGE DENS. 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0.19773130D+01 0.15332760D-03 0.20141648D+01 0.15532637D-03 0.20516933D+01 0.15735120D-03 0.20899105D+01 0.15940242D-03 0.21288287D+01 0.16148038D-03 0.21684604D+01 0.16358543D-03 0.22088184D+01 0.16571793D-03 0.22499156D+01 0.16787822D-03 0.22917651D+01 0.17006667D-03 0.23343804D+01 0.17228365D-03 0.23777749D+01 0.17452953D-03 0.24219627D+01 0.17680469D-03 0.24669577D+01 0.17910951D-03 0.25127742D+01 0.18144437D-03 0.25594268D+01 0.18380967D-03 0.26069303D+01 0.18620581D-03 0.26552996D+01 0.18863318D-03 0.27045501D+01 0.19109219D-03 0.27546974D+01 0.19358326D-03 0.28057571D+01 0.19610680D-03 0.28577453D+01 0.19866324D-03 0.29106784D+01 0.20125300D-03 0.29645730D+01 0.20387653D-03 0.30194458D+01 0.20653425D-03 0.30753141D+01 0.20922662D-03 0.31321952D+01 0.21195409D-03 0.31901069D+01 0.21471712D-03 0.32490670D+01 0.21751616D-03 0.33090940D+01 0.22035169D-03 0.33702063D+01 0.22322418D-03 0.34324228D+01 0.22613412D-03 0.34957628D+01 0.22908200D-03 0.35602456D+01 0.23206830D-03 0.36258912D+01 0.23509353D-03 0.36927195D+01 0.23815820D-03 0.37607510D+01 0.24126282D-03 0.38300065D+01 0.24440791D-03 0.39005071D+01 0.24759400D-03 0.39722742D+01 0.25082162D-03 0.40453295D+01 0.25409132D-03 0.41196951D+01 0.25740364D-03 0.41953935D+01 0.26075914D-03 0.42724474D+01 0.26415839D-03 0.43508801D+01 0.26760194D-03 0.44307149D+01 0.27109039D-03 0.45119759D+01 0.27462431D-03 0.45946871D+01 0.27820430D-03 0.46788733D+01 0.28183096D-03 0.47645594D+01 0.28550490D-03 0.48517707D+01 0.28922672D-03 0.49405331D+01 0.29299707D-03 0.50308726D+01 0.29681657D-03 0.51228158D+01 0.30068585D-03 0.52163897D+01 0.30460558D-03 0.53116215D+01 0.30857640D-03 0.54085389D+01 0.31259899D-03 0.55071703D+01 0.31667402D-03 0.56075440D+01 0.32080216D-03 0.57096891D+01 0.32498412D-03 0.58136351D+01 0.32922060D-03 0.59194117D+01 0.33351231D-03 0.60270492D+01 0.33785996D-03 0.61365783D+01 0.34226428D-03 0.62480303D+01 0.34672602D-03 0.63614366D+01 0.35124593D-03 0.64768293D+01 0.35582475D-03 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-8.4402360E+02 2.3375630E-05 3.6094769E-03 5.4632980E-02 3.2496348E+01 2P* -8.1418379E+02 1.3303782E-05 2.4771178E-03 4.4127118E-02 3.2359444E+01 2P -6.5752711E+02 2.6066322E-05 3.6402610E-03 5.4641815E-02 2.3360680E+01 3.8203172E+04 3S -2.1407610E+02 8.3116813E-04 2.3374812E-02 1.4240926E-01 1.1782818E+01 3P* -2.0055858E+02 7.0294167E-04 2.0963387E-02 1.3365074E-01 1.1667981E+01 3P -1.6425635E+02 1.1467451E-03 2.7063514E-02 1.5253944E-01 9.2849604E+00 9.5633543E+03 3D* -1.4311978E+02 7.2155369E-04 2.0247256E-02 1.3134700E-01 9.1898196E+00 1.7060986E+03 3D -1.3584802E+02 8.2894948E-04 2.1862407E-02 1.3688466E-01 8.7207947E+00 1.2962295E+03 4S -5.4775416E+01 1.6692949E-02 1.0792498E-01 3.0896447E-01 5.0512771E+00 4P* -4.8657854E+01 1.6922393E-02 1.0741371E-01 3.0698038E-01 4.9346754E+00 4P -3.9085681E+01 2.6341741E-02 1.3449330E-01 3.4408423E-01 4.1148846E+00 2.5531541E+03 4D* -2.9426104E+01 2.7281432E-02 1.3310713E-01 3.3986707E-01 3.9379392E+00 4.2943497E+02 4D -2.7679153E+01 3.0784116E-02 1.4161088E-01 3.5085183E-01 3.7729260E+00 3.1723630E+02 5S -1.1808330E+01 2.9245906E-01 4.5700239E-01 6.3927684E-01 2.2577700E+00 5P* -9.3947404E+00 3.4807131E-01 4.9424797E-01 6.6335586E-01 2.1440978E+00 5P -7.0602988E+00 5.4659853E-01 6.1893469E-01 7.4258681E-01 1.8379845E+00 6.2029954E+02 4F* -1.4967584E+01 3.1584815E-02 1.3349952E-01 3.3793545E-01 3.5150914E+00 7.9393557E+01 4F -1.4503703E+01 3.3476512E-02 1.3762306E-01 3.4330350E-01 3.4531720E+00 7.4092065E+01 5D* -3.5377008E+00 9.0175673E-01 7.7364367E-01 8.2539202E-01 1.6181748E+00 8.7267326E+01 5D -3.1891796E+00 1.0316619E+00 8.2652737E-01 8.5310797E-01 1.5552907E+00 6.3507446E+01 0 ET=-2.8662577E+04 EC= 3.7659107E+04 EE= 1.0068729E+04 EX=-4.6135963E+02 EN=-7.5929053E+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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0.15554810D-08 0.25303145D+01 0.11153675D-08 0.25629142D+01 0.79637148D-09 0.25959339D+01 0.56615333D-09 0.26293790D+01 0.40072744D-09 0.26632550D+01 0.28238168D-09 0.26975675D+01 0.19809429D-09 0.27323220D+01 0.13833462D-09 0.27675243D+01 0.96158745D-10 0.28031801D+01 0.66530569D-10 0.28392954D+01 0.45814634D-10 0.28758759D+01 0.31398902D-10 0.29129277D+01 0.21415585D-10 0.29504568D+01 0.14535529D-10 0.29884695D+01 0.98174984D-11 0.30269719D+01 0.65982562D-11 0.30659704D+01 0.44127982D-11 0.31054713D+01 0.29367568D-11 0.31454811D+01 0.19450242D-11 0.31860064D+01 0.12822017D-11 0.32270538D+01 0.84157267D-12 0.32686301D+01 0.55025001D-12 0.33107420D+01 0.35870318D-12 0.33533965D+01 0.23301565D-12 0.33966005D+01 0.15243008D-12 0.34403611D+01 0.97927374D-13 0.34846855D+01 0.62021308D-13 0.35295810D+01 0.39050095D-13 0.35750549D+01 0.24440760D-13 0.36211147D+01 0.15204963D-13 ENERGIE (R4) (R2) (R) (R-1) (R-3) 1S -1.3277941E+01 1.3570924E-02 7.1741675E-02 2.3024116E-01 6.6263498E+00 0 ET=-3.3576572E+01 EC= 5.4518594E+01 EE= 8.1941687E+00 EX=-3.5204368E+00 EN=-9.2768898E+01