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Re^2: ...at what temperature and state of matter does pc gamess compute the energy?

Pasquale Morvillo
pasquale.morvillo@portici.enea.it

On Tue Nov 3 '09 1:39pm, sanya wrote
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>>...at what temperature and state of matter does pc-gamess compute the energy?

>See $FORCE group of the manual:
>TEMP = an array of up to ten temperatures at which the thermochemistry should be printed out. The default is a single temperature, 298.15 K. To use absolute zero, input 0.001 degrees.

The manual states that $FORCE group is relevant only for RUNTYP=HESSIAN, OPTIMIZE and SADPOINT but the question was about RUNTYP=ENERGY....

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