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Results tagged with gamess
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user 65
Questions related to the GAMESS(US) or GAMESS(UK) software.
5
votes
Accepted
GAMESS(US) Hessian calculation sometimes does not produce the IR intensities
I was able to figure out what was going wrong, but forgot to check back here and leave an answer if none were give.
@ShoubhikRMaiti should be credited with helping me figure this out. From this commen …
- 1,232
5
votes
1
answer
283
views
GAMESS(US) Hessian calculation sometimes does not produce the IR intensities
I have noticed that for certain Hessian calculations that I run with GAMESS(US), the IR intensities are not produced in the log file. …
- 1,232