$set def 1100 $assign sys$input for010 $assign sys$output for009 $assign poolg:hf110007.dat for007 $assign poolg:hf110001.dat for001 $assign poolg:hf110002.dat for002 $assign poolg:hf110004.dat for004 $assign hf1100y.pun for011 $assign hf1100y.rrr for012 $assign hf1100y.dat for013 $assign hf1100ye.dat for014 $assign poolg:hf110031.dat for031 $assign poolg:hf110032.dat for032 $run cray:rcn32c 2 -5 0 10 1.0 5.e-08 1.e-11-2 150 1.0 0.65 0.1 0.50 0.0 0.70 11 1na i 2p6 3s 2p6 3s 11 1na i 2p6 4s 2p6 4s 11 1na i 2p6 5s 2p6 5s 11 1na i 2p6 6s 2p6 6s 11 1na i 2p6 7s 2p6 7s 11 1na i 2p6 8s 2p6 8s 11 1na i 2p6 9s 2p6 9s 11 1na i 2p5 3p4s 2p5 3p 4s 11 1na i 2p5 3p5s 2p5 3p 5s 11 1na i 2p5 3p6s 2p5 3p 6s 11 1na i 2p5 3p7s 2p5 3p 7s 11 1na i 2p5 3p8s 2p5 3p 8s 11 1na i 2p5 3p9s 2p5 3p 9s 11 1na i 2p6 3d 2p6 3d 11 1na i 2p6 4d 2p6 4d 11 1na i 2p6 5d 2p6 5d 11 1na i 2p6 6d 2p6 6d 11 1na i 2p6 7d 2p6 7d 11 1na i 2p6 8d 2p6 8d 11 1na i 2p6 9d 2p6 9d 11 1na i 2p5 3p4d 2p5 3p 4d 11 1na i 2p5 3p5d 2p5 3p 5d 11 1na i 2p5 3p6d 2p5 3p 6d 11 1na i 2p5 3p7d 2p5 3p 7d 11 1na i 2p5 3p8d 2p5 3p 8d 11 1na i 2p5 3p9d 2p5 3p 9d 11 1na i 2p5 3s3p 2p5 3s 3p 11 1na i 2p5 3s4p 2p5 3s 4p 11 1na i 2p5 3s5p 2p5 3s 5p 11 1na i 2p5 3s6p 2p5 3s 6p 11 1na i 2p5 3s7p 2p5 3s 7p 11 1na i 2p5 3s8p 2p5 3s 8p 11 1na i 2p5 3s9p 2p5 3s 9p 11 1na i 2p5 3d3p 2p5 3d 3p 11 1na i 2p5 3d4p 2p5 3d 4p 11 1na i 2p5 3d5p 2p5 3d 5p 11 1na i 2p5 3d6p 2p5 3d 6p 11 1na i 2p5 3d7p 2p5 3d 7p 11 1na i 2p5 3d8p 2p5 3d 8p 11 1na i 2p5 3d9p 2p5 3d 9p 11 1na i 2p6 3p 2p6 3p 11 1na i 2p6 4p 2p6 4p 11 1na i 2p6 5p 2p6 5p 11 1na i 2p6 6p 2p6 6p 11 1na i 2p6 7p 2p6 7p 11 1na i 2p6 8p 2p6 8p 11 1na i 2p6 9p 2p6 9p 11 1na i 2p5 3p2 2p5 3p2 11 1na i 2p5 3p4p 2p5 3p 4p 11 1na i 2p5 3p5p 2p5 3p 5p 11 1na i 2p5 3p6p 2p5 3p 6p 11 1na i 2p5 3p7p 2p5 3p 7p 11 1na i 2p5 3p8p 2p5 3p 8p 11 1na i 2p5 3p9p 2p5 3p 9p 11 1na i 2p6 4f 2p6 4f 11 1na i 2p6 5f 2p6 5f 11 1na i 2p6 6f 2p6 6f 11 1na i 2p6 7f 2p6 7f 11 1na i 2p6 8f 2p6 8f 11 1na i 2p6 9f 2p6 9f 11 1na i 2p5 3p4f 2p5 3p 4f 11 1na i 2p5 3p5f 2p5 3p 5f 11 1na i 2p5 3p6f 2p5 3p 6f 11 1na i 2p5 3p7f 2p5 3p 7f 11 1na i 2p5 3p8f 2p5 3p 8f 11 1na i 2p5 3p9f 2p5 3p 9f 11 1na i 2p5 3s2 2p5 3s2 11 1na i 2p5 3s4s 2p5 3s 4s 11 1na i 2p5 3s5s 2p5 3s 5s 11 1na i 2p5 3s6s 2p5 3s 6s 11 1na i 2p5 3s7s 2p5 3s 7s 11 1na i 2p5 3s8s 2p5 3s 8s 11 1na i 2p5 3s9s 2p5 3s 9s 11 1na i 2p5 3d4s 2p5 3d 4s 11 1na i 2p5 3d5s 2p5 3d 5s 11 1na i 2p5 3d6s 2p5 3d 6s 11 1na i 2p5 3d7s 2p5 3d 7s 11 1na i 2p5 3d8s 2p5 3d 8s 11 1na i 2p5 3d9s 2p5 3d 9s 11 1na i 2p5 3s3d 2p5 3s 3d 11 1na i 2p5 3s4d 2p5 3s 4d 11 1na i 2p5 3s5d 2p5 3s 5d 11 1na i 2p5 3s6d 2p5 3s 6d 11 1na i 2p5 3s7d 2p5 3s 7d 11 1na i 2p5 3s8d 2p5 3s 8d 11 1na i 2p5 3s9d 2p5 3s 9d 11 1na i 2p5 3d2 2p5 3d2 11 1na i 2p5 3d4d 2p5 3d 4d 11 1na i 2p5 3d5d 2p5 3d 5d 11 1na i 2p5 3d6d 2p5 3d 6d 11 1na i 2p5 3d7d 2p5 3d 7d 11 1na i 2p5 3d8d 2p5 3d 8d 11 1na i 2p5 3d9d 2p5 3d 9d -1 $run cray:rcn2c $DELETE POOLG:HF110001.DAT;* $DELETE POOLG:HF110002.DAT;* $DELETE POOLG:HF110004.DAT;* $DELETE POOLG:HF110031.DAT;* $DELETE POOLG:HF110032.DAT;*