Alex Granovsky
gran@classic.chem.msu.su
your input is incorrectly formatted. Replace
$END $ECP C-ECP NONE C-ECP C-ECP C-ECP C-ECP C-ECP H-ECP NONE H-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP NONE C-ECP C-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP C-ECP C-ECP C-ECP C-ECP H-ECP C-ECP H-ECP C-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP C-ECP C-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP CO-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 434.1076104 -66.7240276 2 78.8402758 -11.7192243 2 19.6037749 4 ----- s-ul potential ----- 3.0000000 0 151.2307582 20.1553110 1 169.6790026 413.3762244 2 64.9909423 133.8727705 2 12.5076287 4 ----- p-ul potential ----- 5.0000000 0 92.7319924 6.1892353 1 121.1910183 326.3215919 2 48.6265909 73.8788970 2 11.9966971 CO-ECP O-ECP NONE C-ECP H-ECP H-ECP H-ECP N-ECP C-ECP S-ECP GEN 10 2 5 ----- d-ul potential ----- -10.0000000 1 532.6685222 -85.3593846 2 108.1342248 -30.4513290 2 24.5697664 -10.3745886 2 7.3702438 -0.9899295 2 2.3712569 5 ----- s-ul potential ----- 3.0000000 0 106.3176781 10.6284036 1 100.8245833 223.6360469 2 53.5858472 93.6460845 2 15.3706332 28.7609065 2 3.1778402 6 ----- p-ul potential ----- 5.0000000 0 101.9709185 6.0969842 1 93.2808973 285.4425500 2 65.1431772 147.1448413 2 24.6347440 53.6569778 2 7.8120535 8.9249559 2 2.3112730 N-ECP C-ECP S-ECP N-ECP C-ECP S-ECP $END
by
$END $ECP C-ECP NONE C-ECP C-ECP C-ECP C-ECP C-ECP H-ECP NONE H-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP NONE C-ECP C-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP C-ECP C-ECP C-ECP C-ECP H-ECP C-ECP H-ECP C-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP C-ECP C-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP H-ECP C-ECP H-ECP H-ECP H-ECP N-ECP CO-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 434.1076104 -66.7240276 2 78.8402758 -11.7192243 2 19.6037749 4 ----- s-ul potential ----- 3.0000000 0 151.2307582 20.1553110 1 169.6790026 413.3762244 2 64.9909423 133.8727705 2 12.5076287 4 ----- p-ul potential ----- 5.0000000 0 92.7319924 6.1892353 1 121.1910183 326.3215919 2 48.6265909 73.8788970 2 11.9966971 CO-ECP O-ECP NONE C-ECP H-ECP H-ECP H-ECP N-ECP C-ECP S-ECP GEN 10 2 5 ----- d-ul potential ----- -10.0000000 1 532.6685222 -85.3593846 2 108.1342248 -30.4513290 2 24.5697664 -10.3745886 2 7.3702438 -0.9899295 2 2.3712569 5 ----- s-ul potential ----- 3.0000000 0 106.3176781 10.6284036 1 100.8245833 223.6360469 2 53.5858472 93.6460845 2 15.3706332 28.7609065 2 3.1778402 6 ----- p-ul potential ----- 5.0000000 0 101.9709185 6.0969842 1 93.2808973 285.4425500 2 65.1431772 147.1448413 2 24.6347440 53.6569778 2 7.8120535 8.9249559 2 2.3112730 N-ECP C-ECP S-ECP N-ECP C-ECP S-ECP $END
Kind regards,
Alex Granovsky
On Tue Mar 31 '15 2:20am, Amir Nasser Shamkhali wrote
-----------------------------------------------------
>Dear all
>I read all of the posts about ECP input and I made an input. But my input gives this error:
>****ERROR**** NO $ECP GROUP FOUND FOR ECP=READ
>I attach my input file. Please help me what can I do for this problem.
>Thanks for your attention.