[CPMD-list] Cluster/Gas Heating
Henning Heiberg-Andersen
Henning.Heiberg-Andersen at fi.uib.no
Fri Oct 29 10:31:55 CEST 2004
Dear CPMD users,
I want to simulate gradual heating of clusters/gases in a cubic
cell of constant volume, but I am not sure how/if this should be
done in a single CP run.
If somebody could send me an example file or give me a hint on
how to set the TEMPERATURE keywords in the &CPMD section for this
kind of calculation, I would be very grateful.
Sincerely,
Henning Heiberg-Andersen
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