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 0.0000/94 ET LE PAS A 0.0159 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+07 -.925E+07 -.911E+07 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-.769E-01 -.757E-01 -.745E-01 -.733E-01 -.721E-01 -.710E-01 -.699E-01 -.688E-01 -.677E-01 -.666E-01 -.656E-01 -.645E-01 -.635E-01 -.625E-01 -.615E-01 -.606E-01 -.596E-01 -.587E-01 1 Pu ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -4485.29298736155 eigenwert von 2 Zustand -844.070239238498 eigenwert von 3 Zustand -814.230212453607 eigenwert von 4 Zustand -657.573685543340 eigenwert von 5 Zustand -214.124291716699 eigenwert von 6 Zustand -200.606665130988 eigenwert von 7 Zustand -164.304560989140 eigenwert von 8 Zustand -143.167774101506 eigenwert von 9 Zustand -135.896076518107 eigenwert von 10 Zustand -54.8234214903589 eigenwert von 11 Zustand -48.7058569799517 eigenwert von 12 Zustand -39.1336260743130 eigenwert von 13 Zustand -29.4740502081741 eigenwert von 14 Zustand -27.7270887206333 eigenwert von 15 Zustand -11.8560145005119 eigenwert von 16 Zustand -9.44228424813966 eigenwert von 17 Zustand -7.10735511630575 eigenwert von 18 Zustand -15.0157027875644 eigenwert von 19 Zustand -14.5518136771866 eigenwert von 20 Zustand -3.58393487382949 eigenwert von 21 Zustand -3.23513534450299 1 9.88E+00 1.206646E+00 -4.204422E+00 -1.408755E+01 1.03E+00 -1.00E+00 0.000000E+00 1.000080E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Pu RADII AND CHARGE DENS. 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0.81687410D-01 0.16910349D-04 0.83597657D-01 0.17181706D-04 0.85552504D-01 0.17457417D-04 0.87552989D-01 0.17737553D-04 0.89600175D-01 0.18022184D-04 0.91695148D-01 0.18311382D-04 0.93839022D-01 0.18605222D-04 0.96032934D-01 0.18903776D-04 0.98278050D-01 0.19207121D-04 0.10057556D+00 0.19515334D-04 0.10292668D+00 0.19828493D-04 0.10533266D+00 0.20146677D-04 0.10779478D+00 0.20469966D-04 0.11031435D+00 0.20798444D-04 0.11289269D+00 0.21132193D-04 0.11553117D+00 0.21471297D-04 0.11823120D+00 0.21815842D-04 0.12099420D+00 0.22165917D-04 0.12382164D+00 0.22521609D-04 0.12671501D+00 0.22883009D-04 0.12967585D+00 0.23250208D-04 0.13270573D+00 0.23623300D-04 0.13580624D+00 0.24002378D-04 0.13897903D+00 0.24387540D-04 0.14222578D+00 0.24778882D-04 0.14554820D+00 0.25176503D-04 0.14894805D+00 0.25580506D-04 0.15242713D+00 0.25990991D-04 0.15598728D+00 0.26408064D-04 0.15963038D+00 0.26831829D-04 0.16335835D+00 0.27262394D-04 0.16717316D+00 0.27699868D-04 0.17107683D+00 0.28144362D-04 0.17507142D+00 0.28595989D-04 0.17915903D+00 0.29054864D-04 0.18334182D+00 0.29521101D-04 0.18762200D+00 0.29994821D-04 0.19200182D+00 0.30476142D-04 0.19648359D+00 0.30965186D-04 0.20106968D+00 0.31462079D-04 0.20576250D+00 0.31966944D-04 0.21056452D+00 0.32479912D-04 0.21547827D+00 0.33001110D-04 0.22050633D+00 0.33530673D-04 0.22565136D+00 0.34068733D-04 0.23091605D+00 0.34615427D-04 0.23630318D+00 0.35170894D-04 0.24181557D+00 0.35735275D-04 0.24745613D+00 0.36308712D-04 0.25322782D+00 0.36891350D-04 0.25913366D+00 0.37483339D-04 0.26517676D+00 0.38084826D-04 0.27136029D+00 0.38695966D-04 0.27768748D+00 0.39316913D-04 0.28416167D+00 0.39947823D-04 0.29078624D+00 0.40588858D-04 0.29756465D+00 0.41240180D-04 0.30450047D+00 0.41901953D-04 0.31159733D+00 0.42574345D-04 0.31885893D+00 0.43257527D-04 0.32628907D+00 0.43951672D-04 0.33389164D+00 0.44656956D-04 0.34167062D+00 0.45373558D-04 0.34963006D+00 0.46101658D-04 0.35777412D+00 0.46841443D-04 0.36610705D+00 0.47593098D-04 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-8.4407024E+02 2.3375689E-05 3.6094806E-03 5.4633005E-02 3.2496334E+01 2P* -8.1423021E+02 1.3303824E-05 2.4771210E-03 4.4127142E-02 3.2359432E+01 2P -6.5757369E+02 2.6066441E-05 3.6402681E-03 5.4641863E-02 2.3360665E+01 3.8203117E+04 3S -2.1412429E+02 8.3117062E-04 2.3374854E-02 1.4240939E-01 1.1782802E+01 3P* -2.0060667E+02 7.0294494E-04 2.0963444E-02 1.3365094E-01 1.1667958E+01 3P -1.6430456E+02 1.1467482E-03 2.7063564E-02 1.5253959E-01 9.2849494E+00 9.5633283E+03 3D* -1.4316777E+02 7.2155942E-04 2.0247351E-02 1.3134733E-01 9.1897948E+00 1.7060847E+03 3D -1.3589608E+02 8.2895503E-04 2.1862496E-02 1.3688497E-01 8.7207734E+00 1.2962200E+03 4S -5.4823421E+01 1.6692865E-02 1.0792467E-01 3.0896397E-01 5.0512923E+00 4P* -4.8705857E+01 1.6922307E-02 1.0741339E-01 3.0697986E-01 4.9346903E+00 4P -3.9133626E+01 2.6341656E-02 1.3449305E-01 3.4408383E-01 4.1148935E+00 2.5531672E+03 4D* -2.9474050E+01 2.7281276E-02 1.3310677E-01 3.3986655E-01 3.9379496E+00 4.2943734E+02 4D -2.7727089E+01 3.0783920E-02 1.4161051E-01 3.5085131E-01 3.7729351E+00 3.1723796E+02 5S -1.1856015E+01 2.9237445E-01 4.5695293E-01 6.3924631E-01 2.2578745E+00 5P* -9.4422842E+00 3.4791787E-01 4.9416588E-01 6.6330707E-01 2.1442496E+00 5P -7.1073551E+00 5.4615519E-01 6.1873613E-01 7.4247855E-01 1.8382518E+00 6.2048800E+02 4F* -1.5015703E+01 3.1583134E-02 1.3349704E-01 3.3793266E-01 3.5151157E+00 7.9394879E+01 4F -1.4551814E+01 3.3474615E-02 1.3762040E-01 3.4330058E-01 3.4531964E+00 7.4093334E+01 5D* -3.5839349E+00 8.9995832E-01 7.7303226E-01 8.2509671E-01 1.6187258E+00 8.7330755E+01 5D -3.2351353E+00 1.0292457E+00 8.2576693E-01 8.5275228E-01 1.5559089E+00 6.3562049E+01 0 ET=-2.8666691E+04 EC= 3.7665169E+04 EE= 1.0069139E+04 EX=-4.6137120E+02 EN=-7.5939628E+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 -9.23057155222212 1 3.78E+00 2.819010E-01 -1.286514E+01 -1.664267E+01 2.56E-02 -1.00E+00 0.000000E+00 1.006513E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 C RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.15431589D-04 0.10128956D-03 0.15831516D-04 0.10259574D-03 0.16241805D-04 0.10391877D-03 0.16662722D-04 0.10525887D-03 0.17094545D-04 0.10661624D-03 0.17537555D-04 0.10799112D-03 0.17992041D-04 0.10938372D-03 0.18458302D-04 0.11079429D-03 0.18936642D-04 0.11222304D-03 0.19427373D-04 0.11367022D-03 0.19930817D-04 0.11513607D-03 0.20447302D-04 0.11662081D-03 0.20977167D-04 0.11812470D-03 0.21520758D-04 0.11964799D-03 0.22078429D-04 0.12119092D-03 0.22650547D-04 0.12275375D-03 0.23237484D-04 0.12433672D-03 0.23839624D-04 0.12594012D-03 0.24457361D-04 0.12756419D-03 0.25091099D-04 0.12920920D-03 0.25741252D-04 0.13087543D-03 0.26408244D-04 0.13256314D-03 0.27092512D-04 0.13427262D-03 0.27794503D-04 0.13600414D-03 0.28514675D-04 0.13775799D-03 0.29253500D-04 0.13953446D-03 0.30011460D-04 0.14133383D-03 0.30789050D-04 0.14315642D-03 0.31586778D-04 0.14500250D-03 0.32405166D-04 0.14687239D-03 0.33244748D-04 0.14876639D-03 0.34106072D-04 0.15068482D-03 0.34989702D-04 0.15262799D-03 0.35896215D-04 0.15459621D-03 0.36826203D-04 0.15658982D-03 0.37780272D-04 0.15860913D-03 0.38759048D-04 0.16065449D-03 0.39763167D-04 0.16272622D-03 0.40793288D-04 0.16482467D-03 0.41850081D-04 0.16695017D-03 0.42934238D-04 0.16910309D-03 0.44046466D-04 0.17128377D-03 0.45187492D-04 0.17349258D-03 0.46358061D-04 0.17572986D-03 0.47558936D-04 0.17799600D-03 0.48790902D-04 0.18029136D-03 0.50054764D-04 0.18261632D-03 0.51351345D-04 0.18497126D-03 0.52681494D-04 0.18735657D-03 0.54046077D-04 0.18977264D-03 0.55445986D-04 0.19221987D-03 0.56882135D-04 0.19469865D-03 0.58355460D-04 0.19720940D-03 0.59866923D-04 0.19975253D-03 0.61417510D-04 0.20232845D-03 0.63008234D-04 0.20493759D-03 0.64640131D-04 0.20758038D-03 0.66314268D-04 0.21025725D-03 0.68031736D-04 0.21296863D-03 0.69793656D-04 0.21571499D-03 0.71601176D-04 0.21849675D-03 0.73455476D-04 0.22131439D-03 0.75357766D-04 0.22416837D-03 0.77309286D-04 0.22705915D-03 0.79311309D-04 0.22998721D-03 0.81365140D-04 0.23295302D-03 0.83472120D-04 0.23595708D-03 0.85633620D-04 0.23899989D-03 0.87851052D-04 0.24208192D-03 0.90125860D-04 0.24520371D-03 0.92459527D-04 0.24836575D-03 0.94853576D-04 0.25156857D-03 0.97309565D-04 0.25481269D-03 0.99829097D-04 0.25809864D-03 0.10241381D-03 0.26142697D-03 0.10506540D-03 0.26479822D-03 0.10778558D-03 0.26821295D-03 0.11057613D-03 0.27167171D-03 0.11343886D-03 0.27517507D-03 0.11637565D-03 0.27872361D-03 0.11938840D-03 0.28231791D-03 0.12247908D-03 0.28595856D-03 0.12564970D-03 0.28964616D-03 0.12890232D-03 0.29338131D-03 0.13223907D-03 0.29716463D-03 0.13566212D-03 0.30099674D-03 0.13917368D-03 0.30487826D-03 0.14277606D-03 0.30880984D-03 0.14647160D-03 0.31279212D-03 0.15026270D-03 0.31682575D-03 0.15415182D-03 0.32091140D-03 0.15814151D-03 0.32504974D-03 0.16223435D-03 0.32924144D-03 0.16643302D-03 0.33348719D-03 0.17074023D-03 0.33778770D-03 0.17515880D-03 0.34214367D-03 0.17969160D-03 0.34655581D-03 0.18434157D-03 0.35102484D-03 0.18911174D-03 0.35555151D-03 0.19400521D-03 0.36013655D-03 0.19902517D-03 0.36478071D-03 0.20417488D-03 0.36948477D-03 0.20945768D-03 0.37424948D-03 0.21487702D-03 0.37907564D-03 0.22043640D-03 0.38396404D-03 0.22613946D-03 0.38891548D-03 0.23198988D-03 0.39393076D-03 0.23799147D-03 0.39901073D-03 0.24414814D-03 0.40415620D-03 0.25046388D-03 0.40936802D-03 0.25694279D-03 0.41464706D-03 0.26358909D-03 0.41999417D-03 0.27040708D-03 0.42541023D-03 0.27740120D-03 0.43089614D-03 0.28457598D-03 0.43645279D-03 0.29193608D-03 0.44208110D-03 0.29948628D-03 0.44778199D-03 0.30723148D-03 0.45355639D-03 0.31517671D-03 0.45940526D-03 0.32332711D-03 0.46532955D-03 0.33168798D-03 0.47133024D-03 0.34026475D-03 0.47740831D-03 0.34906296D-03 0.48356477D-03 0.35808834D-03 0.48980061D-03 0.36734672D-03 0.49611687D-03 0.37684411D-03 0.50251458D-03 0.38658667D-03 0.50899479D-03 0.39658072D-03 0.51555857D-03 0.40683272D-03 0.52220699D-03 0.41734932D-03 0.52894115D-03 0.42813733D-03 0.53576214D-03 0.43920374D-03 0.54267110D-03 0.45055572D-03 0.54966916D-03 0.46220061D-03 0.55675745D-03 0.47414596D-03 0.56393716D-03 0.48639950D-03 0.57120945D-03 0.49896915D-03 0.57857552D-03 0.51186305D-03 0.58603658D-03 0.52508955D-03 0.59359386D-03 0.53865720D-03 0.60124859D-03 0.55257476D-03 0.60900203D-03 0.56685126D-03 0.61685546D-03 0.58149590D-03 0.62481017D-03 0.59651816D-03 0.63286745D-03 0.61192776D-03 0.64102864D-03 0.62773463D-03 0.64929507D-03 0.64394901D-03 0.65766810D-03 0.66058135D-03 0.66614910D-03 0.67764241D-03 0.67473948D-03 0.69514319D-03 0.68344063D-03 0.71309500D-03 0.69225398D-03 0.73150942D-03 0.70118099D-03 0.75039833D-03 0.71022312D-03 0.76977393D-03 0.71938185D-03 0.78964870D-03 0.72865869D-03 0.81003547D-03 0.73805516D-03 0.83094739D-03 0.74757281D-03 0.85239792D-03 0.75721318D-03 0.87440090D-03 0.76697788D-03 0.89697050D-03 0.77686850D-03 0.92012126D-03 0.78688666D-03 0.94386810D-03 0.79703401D-03 0.96822630D-03 0.80731222D-03 0.99321154D-03 0.81772297D-03 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0.67542572D-07 0.25539958D+01 0.51050266D-07 0.25869310D+01 0.38446317D-07 0.26202910D+01 0.28848819D-07 0.26540811D+01 0.21567412D-07 0.26883070D+01 0.16063672D-07 0.27229743D+01 0.11919238D-07 0.27580886D+01 0.88102736D-08 0.27936557D+01 0.64870630D-08 0.28296815D+01 0.47577969D-08 0.28661718D+01 0.34757211D-08 0.29031328D+01 0.25290003D-08 0.29405703D+01 0.18327520D-08 0.29784907D+01 0.13228139D-08 0.30169000D+01 0.95088596D-09 0.30558046D+01 0.68076085D-09 0.30952110D+01 0.48541150D-09 0.31351255D+01 0.34474990D-09 0.31755547D+01 0.24391020D-09 0.32165053D+01 0.17193913D-09 0.32579840D+01 0.12080749D-09 0.32999975D+01 0.84638061D-10 0.33425529D+01 0.59206722D-10 0.33856570D+01 0.41267908D-10 0.34293170D+01 0.29010271D-10 0.34735400D+01 0.20008214D-10 0.35183333D+01 0.13616315D-10 0.35637042D+01 0.92205194D-11 0.36096602D+01 0.62125214D-11 0.36562088D+01 0.41645586D-11 ENERGIE (R4) (R2) (R) (R-1) (R-3) 1S -9.2305716E+00 2.6476321E-02 9.9878918E-02 2.7141576E-01 5.6329525E+00 0 ET=-2.4421161E+01 EC= 3.9207181E+01 EE= 6.9564828E+00 EX=-2.9893949E+00 EN=-6.7595430E+01