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

JIA HUO
20509181@zju.edu.cn

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.

I always thought the energy was calculated at 0K in the QM simulation!

Thanks!

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