$SETpool $SET VERIFY=NOIMAGE $ASSIGN 0300:B0300OZ.PUN FOR007 $ASSIGN 0300:H0300OZ.HAM FOR001 $ASSIGN B0300OZ.EIG FOR003 $ASSIGN 0300:EAV0300OZ.DAT FOR066 $ASSIGN POOL:B0300O15 FOR015 $ASSIGN POOL:B0300O16 FOR016 $RUN cray:LEASTE 1reverted to Johansson instead of NIST web site 2 3 Johansson, I. 1958. Arkiv fur Fysik 15, 169-179. 4 5 6 7 8 9 0 0 0 0 0.300 1.500 2 1.0 60 100 110 80 70 50 20 20 0 0 0 0 0 0 0 3.00 1s2 2p 1s2 3p 1s2 4p 1s2 5p 1s2 6p 1s2 7p 1s2 8p 1s2 9p 1s2 10p 1s2 11p 1s2 12p 1s2 4f 1s2 5f 1s2 6f 1s2 7f 1s2 8f 1s2 9f 1s2 10f 1s2 11f 1s2 12f 1s2 6h 1s2 7h 1s2 8h 1s2 9h 1s2 10h 1s2 11h 1s2 12h 1s2 8k 1s2 9k 1s2 10k 1s2 11k 1s2 12k -1. 0.5 14903.654 1s2.2p 2P 1s2.2p 2P 0.5 30925.632 1s2.3p 2P 1s2.3p 2P 0.5 36469.79 1s2.4p 2P 1s2.4p 2P 0.5 39015.71 1s2.5p 2P 1s2.5p 2P 0.5 40391.31 1s2.6p 2P 1s2.6p 2P 0.5 41217.58 1s2.7p 2P 1s2.7p 2P 0.5 41752.42 R 1s2.8p 2P 1s2.8p 2P 0.5 42118.25 R 1s2.9p 2P 1s2.9p 2P 0.5 42379.49 R 1s2.10p 2P 1s2.10p 2P 0.5 42572.51 R 1s2.11p 2P 1s2.11p 2P 0.5 42719.14 R 1s2.12p 2P 1s2.12p 2P 1.5 14903.990 1s2.2p 2P 1s2.2p 2P 1.5 30925.632 1s2.3p 2P 1s2.3p 2P 1.5 36469.79 1s2.4p 2P 1s2.4p 2P 1.5 39015.71 1s2.5p 2P 1s2.5p 2P 1.5 40391.31 1s2.6p 2P 1s2.6p 2P 1.5 41217.58 1s2.7p 2P 1s2.7p 2P 1.5 41752.42 R 1s2.8p 2P 1s2.8p 2P 1.5 42118.25 R 1s2.9p 2P 1s2.9p 2P 1.5 42379.49 R 1s2.10p 2P 1s2.10p 2P 1.5 42572.51 R 1s2.11p 2P 1s2.11p 2P 1.5 42719.14 R 1s2.12p 2P 1s2.12p 2P 2.5 36628.33 1s2.4f 2F 1s2.4f 2F 2.5 39097.53 1s2.5f 2F 1s2.5f 2F 2.5 40438.86 1s2.6f 2F 1s2.6f 2F 2.5 41247.65 1s2.7f 2F 1s2.7f 2F 2.5 41772.58 1s2.8f 2F 1s2.8f 2F 2.5 42132.43 1s2.9f 2F 1s2.9f 2F 2.5 42389.77 P 1s2.10f 2F 1s2.10f 2F 2.5 42580.21 P 1s2.11f 2F 1s2.11f 2F 2.5 42725.07 P 1s2.12f 2F 1s2.12f 2F 3.5 36628.33 1s2.4f 2F 1s2.4f 2F 3.5 39097.53 1s2.5f 2F 1s2.5f 2F 3.5 40438.86 1s2.6f 2F 1s2.6f 2F 3.5 41247.65 1s2.7f 2F 1s2.7f 2F 3.5 41772.58 1s2.8f 2F 1s2.8f 2F 3.5 42132.43 1s2.9f 2F 1s2.9f 2F 3.5 42389.77 P 1s2.10f 2F 1s2.10f 2F 3.5 42580.21 P 1s2.11f 2F 1s2.11f 2F 3.5 42725.07 P 1s2.12f 2F 1s2.12f 2F 4.5 40439.07 P 1s2.6h 2H 1s2.6h 2H 4.5 41247.74 P 1s2.7h 2H 1s2.7h 2H 4.5 41772.59 P 1s2.8h 2H 1s2.8h 2H 4.5 42132.42 P 1s2.9h 2H 1s2.9h 2H 4.5 42389.77 P 1s2.10h 2H 1s2.10h 2H 4.5 42580.25 P 1s2.11h 2H 1s2.11h 2H 4.5 42725.11 P 1s2.12h 2H 1s2.12h 2H 5.5 40439.07 P 1s2.6h 2H 1s2.6h 2H 5.5 41247.74 P 1s2.7h 2H 1s2.7h 2H 5.5 41772.59 P 1s2.8h 2H 1s2.8h 2H 5.5 42132.42 P 1s2.9h 2H 1s2.9h 2H 5.5 42389.77 P 1s2.10h 2H 1s2.10h 2H 5.5 42580.25 P 1s2.11h 2H 1s2.11h 2H 5.5 42725.11 P 1s2.12h 2H 1s2.12h 2H 6.5 41772.59 P 1s2.8k 2K 1s2.8k 2K 6.5 42132.42 P 1s2.9k 2K 1s2.9k 2K 6.5 42389.77 P 1s2.10k 2K 1s2.10k 2K 6.5 42580.25 P 1s2.11k 2K 1s2.11k 2K 6.5 42725.11 P 1s2.12k 2K 1s2.12k 2K 7.5 41772.59 P 1s2.8k 2K 1s2.8k 2K 7.5 42132.42 P 1s2.9k 2K 1s2.9k 2K 7.5 42389.77 P 1s2.10k 2K 1s2.10k 2K 7.5 42580.25 P 1s2.11k 2K 1s2.11k 2K 7.5 42725.11 P 1s2.12k 2K 1s2.12k 2K 64 0.0 32 LEAST SQUARES 1 1 EAV 14903.9 0. 16025.4 1.000 0 0.0 0 1s2 2p 2 1 ZETA 1 0.2 0. 0.2 FIXEDHF 1.000 0 0.0 0 3 2 EAV 30925.7 0. 32612.0 1.000 0 -1875.0 0 1s2 3p 4 2 ZETA 1 0.1 0. 0.1 FIXEDHF 1.000 0 0.0 0 5 3 EAV 36469.8 0. 38271.3 1.000 0 -1875.0 0 1s2 4p 6 3 ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 7 4 EAV 39015.7 0. 40855.0 1.000 0 -1875.0 0 1s2 5p 8 4 ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 9 5 EAV 40391.3 0. 42246.4 1.000 0 -1875.0 0 1s2 6p 10 5 ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 11 6 EAV 41217.6 0. 43080.5 1.000 0 -1875.0 0 1s2 7p 12 6 ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 13 7 EAV 41752.4 0. 43619.5 1.000 0 -1875.0 0 1s2 8p 14 7 ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 15 8 EAV 42118.3 0. 43987.8 1.000 0 -1875.0 0 1s2 9p 16 8 ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 17 9 EAV 42379.5 0. 44250.6 1.000 0 -1875.0 0 1s2 10p 18 9 ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 19 A EAV 42572.5 0. 44444.7 1.000 0 -1875.0 0 1s2 11p 20 A ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 21 B EAV 42719.1 0. 44592.0 1.000 0 -1875.0 0 1s2 12p 22 B ZETA 1 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 23 C EAV 36628.3 0. 38503.1 1.000 0 -1875.0 0 1s2 4f 24 C ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 25 D EAV 39097.5 0. 40972.3 1.000 0 -1875.0 0 1s2 5f 26 D ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 27 E EAV 40438.9 0. 42313.7 1.000 0 -1875.0 0 1s2 6f 28 E ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 29 F EAV 41247.7 0. 43122.6 1.000 0 -1875.0 0 1s2 7f 30 F ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 31 G EAV 41772.6 0. 43647.5 1.000 0 -1875.0 0 1s2 8f 32 G ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 33 H EAV 42132.4 0. 44007.4 1.000 0 -1875.0 0 1s2 9f 34 H ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 35 I EAV 42389.8 0. 44264.9 1.000 0 -1875.0 0 1s2 10f 36 I ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 37 J EAV 42580.2 0. 44455.4 1.000 0 -1875.0 0 1s2 11f 38 J ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 39 K EAV 42725.1 0. 44600.2 1.000 0 -1875.0 0 1s2 12f 40 K ZETA 2 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 41 L EAV 40439.1 0. 42314.1 1.000 0 -1875.0 0 1s2 6h 42 L ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 43 M EAV 41247.7 0. 43122.8 1.000 0 -1875.0 0 1s2 7h 44 M ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 45 N EAV 41772.6 0. 43647.7 1.000 0 -1875.0 0 1s2 8h 46 N ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 47 O EAV 42132.4 0. 44007.6 1.000 0 -1875.0 0 1s2 9h 48 O ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 49 P EAV 42389.8 0. 44265.0 1.000 0 -1875.0 0 1s2 10h 50 P ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 51 Q EAV 42580.3 0. 44455.4 1.000 0 -1875.0 0 1s2 11h 52 Q ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 53 R EAV 42725.1 0. 44600.3 1.000 0 -1875.0 0 1s2 12h 54 R ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 55 S EAV 41772.6 0. 43647.7 1.000 0 -1875.0 0 1s2 8k 56 S ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 57 T EAV 42132.4 0. 44007.6 1.000 0 -1875.0 0 1s2 9k 58 T ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 59 U EAV 42389.8 0. 44265.0 1.000 0 -1875.0 0 1s2 10k 60 U ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 61 V EAV 42580.3 0. 44455.4 1.000 0 -1875.0 0 1s2 11k 62 V ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 63 W EAV 42725.1 0. 44600.3 1.000 0 -1875.0 0 1s2 12k 64 W ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0