Alex Granovsky
gran@classic.chem.msu.su
while complete documentation on these features is not yet ready,
I'm attaching archive with (hopefully) well-commented input and
output files with CI and ISC location samples using Firefly.
If you have any questions on these samples, please post them to the forum.
Also, the following links could be of interest to you:
http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C3c317208dbQn-6924-866+00.htm
http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C3589dd852bQn-6925-831+00.htm
Regards,
Alex
On Mon Jan 26 '09 5:40pm, Vyacheslav wrote
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>Hi,
>when the documentation for function ISC (InterStateCrossing) will appear?
>
| This message contains the 250 kb attachment [ ci_and_isc_location.rar ] Conical Intersections and InterStateCrossings location sample file for Firefly |