$set def 1101 $assign sys$input for010 $assign sys$output for009 $assign poolg:hf110107.dat for007 $assign poolg:hf110101.dat for001 $assign poolg:hf110102.dat for002 $assign poolg:hf110104.dat for004 $assign hf1101x.pun for011 $assign hf1101x.rrr for012 $assign hf1101x.dat for013 $assign hf1101xe.dat for014 $assign poolg:hf110131.dat for031 $assign poolg:hf110132.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 2na ii s2p6 2s2 2p6 11 2na ii s2p5 3p 2s2 2p5 3p 11 2na ii s2p5 4p 2s2 2p5 4p 11 2na ii s2p5 5p 2s2 2p5 5p 11 2na ii s2p5 6p 2s2 2p5 6p 11 2na ii s2p5 7p 2s2 2p5 7p 11 2na ii s2p5 8p 2s2 2p5 8p 11 2na ii s2p5 9p 2s2 2p5 9p 11 2na ii s2p5 10p 2s2 2p5 10p 11 2na ii s2p5 11p 2s2 2p5 11p 11 2na ii s2p5 12p 2s2 2p5 12p 11 2na ii s2p5 13p 2s2 2p5 13p 11 2na ii s2p5 14p 2s2 2p5 14p 11 2na ii s2p5 4f 2s2 2p5 4f 11 2na ii s2p5 5f 2s2 2p5 5f 11 2na ii s2p5 6f 2s2 2p5 6f 11 2na ii s2p5 7f 2s2 2p5 7f 11 2na ii s2p5 8f 2s2 2p5 8f 11 2na ii s2p5 9f 2s2 2p5 9f 11 2na ii s2p5 10f 2s2 2p5 10f 11 2na ii s2p5 11f 2s2 2p5 11f 11 2na ii s2p5 12f 2s2 2p5 12f 11 2na ii s2p5 13f 2s2 2p5 13f 11 2na ii s2p5 14f 2s2 2p5 14f 11 2na ii s2p5 6h 2s2 2p5 6h 11 2na ii s2p5 7h 2s2 2p5 7h 11 2na ii s2p5 8h 2s2 2p5 8h 11 2na ii s2p5 9h 2s2 2p5 9h 11 2na ii s2p5 8k 2s2 2p5 8k 11 2na ii s2p5 9k 2s2 2p5 9k 11 2na ii sp6 3s 2s 2p6 3s 11 2na ii sp6 4s 2s 2p6 4s 11 2na ii sp6 5s 2s 2p6 5s 11 2na ii sp6 6s 2s 2p6 6s 11 2na ii sp6 7s 2s 2p6 7s 11 2na ii sp6 8s 2s 2p6 8s 11 2na ii sp6 9s 2s 2p6 9s 11 2na ii sp6 10s 2s 2p6 10s 11 2na ii sp6 11s 2s 2p6 11s 11 2na ii sp6 12s 2s 2p6 12s 11 2na ii sp6 13s 2s 2p6 13s 11 2na ii sp6 14s 2s 2p6 14s 11 2na ii sp6 3d 2s 2p6 3d 11 2na ii sp6 4d 2s 2p6 4d 11 2na ii sp6 5d 2s 2p6 5d 11 2na ii sp6 6d 2s 2p6 6d 11 2na ii sp6 7d 2s 2p6 7d 11 2na ii sp6 8d 2s 2p6 8d 11 2na ii sp6 9d 2s 2p6 9d 11 2na ii sp6 10d 2s 2p6 10d 11 2na ii sp6 11d 2s 2p6 11d 11 2na ii sp6 12d 2s 2p6 12d 11 2na ii sp6 13d 2s 2p6 13d 11 2na ii sp6 14d 2s 2p6 14d 11 2na ii s2p5 3s 2s2 2p5 3s 11 2na ii s2p5 4s 2s2 2p5 4s 11 2na ii s2p5 5s 2s2 2p5 5s 11 2na ii s2p5 6s 2s2 2p5 6s 11 2na ii s2p5 7s 2s2 2p5 7s 11 2na ii s2p5 8s 2s2 2p5 8s 11 2na ii s2p5 9s 2s2 2p5 9s 11 2na ii s2p5 10s 2s2 2p5 10s 11 2na ii s2p5 11s 2s2 2p5 11s 11 2na ii s2p5 12s 2s2 2p5 12s 11 2na ii s2p5 13s 2s2 2p5 13s 11 2na ii s2p5 14s 2s2 2p5 14s 11 2na ii s2p5 3d 2s2 2p5 3d 11 2na ii s2p5 4d 2s2 2p5 4d 11 2na ii s2p5 5d 2s2 2p5 5d 11 2na ii s2p5 6d 2s2 2p5 6d 11 2na ii s2p5 7d 2s2 2p5 7d 11 2na ii s2p5 8d 2s2 2p5 8d 11 2na ii s2p5 9d 2s2 2p5 9d 11 2na ii s2p5 10d 2s2 2p5 10d 11 2na ii s2p5 11d 2s2 2p5 11d 11 2na ii s2p5 12d 2s2 2p5 12d 11 2na ii s2p5 13d 2s2 2p5 13d 11 2na ii s2p5 14d 2s2 2p5 14d 11 2na ii s2p5 5g 2s2 2p5 5g 11 2na ii s2p5 6g 2s2 2p5 6g 11 2na ii s2p5 7g 2s2 2p5 7g 11 2na ii s2p5 8g 2s2 2p5 8g 11 2na ii s2p5 9g 2s2 2p5 9g 11 2na ii s2p5 7i 2s2 2p5 7i 11 2na ii s2p5 8i 2s2 2p5 8i 11 2na ii s2p5 9i 2s2 2p5 9i 11 2na ii sp6 3p 2s 2p6 3p 11 2na ii sp6 4p 2s 2p6 4p 11 2na ii sp6 5p 2s 2p6 5p 11 2na ii sp6 6p 2s 2p6 6p 11 2na ii sp6 7p 2s 2p6 7p 11 2na ii sp6 8p 2s 2p6 8p 11 2na ii sp6 9p 2s 2p6 9p 11 2na ii sp6 10p 2s 2p6 10p 11 2na ii sp6 11p 2s 2p6 11p 11 2na ii sp6 12p 2s 2p6 12p 11 2na ii sp6 13p 2s 2p6 13p 11 2na ii sp6 14p 2s 2p6 14p 11 2na ii sp6 4f 2s 2p6 4f 11 2na ii sp6 5f 2s 2p6 5f 11 2na ii sp6 6f 2s 2p6 6f 11 2na ii sp6 7f 2s 2p6 7f 11 2na ii sp6 8f 2s 2p6 8f 11 2na ii sp6 9f 2s 2p6 9f 11 2na ii sp6 10f 2s 2p6 10f 11 2na ii sp6 11f 2s 2p6 11f 11 2na ii sp6 12f 2s 2p6 12f 11 2na ii sp6 13f 2s 2p6 13f 11 2na ii sp6 14f 2s 2p6 14f -1 $run cray:rcn2c $DELETE POOLG:HF110101.DAT;* $DELETE POOLG:HF110102.DAT;* $DELETE POOLG:HF110104.DAT;* $DELETE POOLG:HF110131.DAT;* $DELETE POOLG:HF110132.DAT;*