$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 hf1100z.pun for011 $assign hf1100z.rrr for012 $assign hf1100z.dat for013 $assign hf1100ze.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 2p6 10s 2p6 10s 11 1na i 2p6 11s 2p6 11s 11 1na i 2p6 12s 2p6 12s 11 1na i 2p6 13s 2p6 13s 11 1na i 2p6 14s 2p6 14s 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 2p6 10d 2p6 10d 11 1na i 2p6 11d 2p6 11d 11 1na i 2p6 12d 2p6 12d 11 1na i 2p6 13d 2p6 13d 11 1na i 2p6 14d 2p6 14d 11 1na i 2p6 5g 2p6 5g 11 1na i 2p6 6g 2p6 6g 11 1na i 2p6 7g 2p6 7g 11 1na i 2p6 8g 2p6 8g 11 1na i 2p6 9g 2p6 9g 11 1na i 2p6 10g 2p6 10g 11 1na i 2p6 11g 2p6 11g 11 1na i 2p6 12g 2p6 12g 11 1na i 2p6 13g 2p6 13g 11 1na i 2p6 14g 2p6 14g 11 1na i 2p6 7i 2p6 7i 11 1na i 2p6 8i 2p6 8i 11 1na i 2p6 9i 2p6 9i 11 1na i 2p6 10i 2p6 10i 11 1na i 2p6 11i 2p6 11i 11 1na i 2p6 12i 2p6 12i 11 1na i 2p6 13i 2p6 13i 11 1na i 2p6 14i 2p6 14i 11 1na i 2p5 3s3p 2p5 3s 3p 11 1na i 2p5 3p3d 2p5 3p 3d 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 2p6 10p 2p6 10p 11 1na i 2p6 11p 2p6 11p 11 1na i 2p6 12p 2p6 12p 11 1na i 2p6 13p 2p6 13p 11 1na i 2p6 14p 2p6 14p 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 2p6 10f 2p6 10f 11 1na i 2p6 11f 2p6 11f 11 1na i 2p6 12f 2p6 12f 11 1na i 2p6 13f 2p6 13f 11 1na i 2p6 14f 2p6 14f 11 1na i 2p6 6h 2p6 6h 11 1na i 2p6 7h 2p6 7h 11 1na i 2p6 8h 2p6 8h 11 1na i 2p6 9h 2p6 9h 11 1na i 2p6 10h 2p6 10h 11 1na i 2p6 11h 2p6 11h 11 1na i 2p6 12h 2p6 12h 11 1na i 2p6 13h 2p6 13h 11 1na i 2p6 14h 2p6 14h 11 1na i 2p6 8k 2p6 8k 11 1na i 2p6 9k 2p6 9k 11 1na i 2p6 10k 2p6 10k 11 1na i 2p6 11k 2p6 11k 11 1na i 2p6 12k 2p6 12k 11 1na i 2p6 13k 2p6 13k 11 1na i 2p6 14k 2p6 14k 11 1na i 2p5 3s2 2p5 3s2 11 1na i 2p5 3s3d 2p5 3s 3d 11 1na i 2p5 3d2 2p5 3d2 11 1na i 2p5 3p2 2p5 3p2 -1 $run cray:rcn2c $DELETE POOLG:HF110001.DAT;* $DELETE POOLG:HF110002.DAT;* $DELETE POOLG:HF110004.DAT;* $DELETE POOLG:HF110031.DAT;* $DELETE POOLG:HF110032.DAT;*