[Pw_forum] temph and fnoseh in cp.x
giannozz at democritos.it
Fri Feb 4 09:00:53 CET 2011
On Feb 4, 2011, at 8:03 , Riping WANG wrote:
> Is it necessary to control temph in cp.x.
necessary, no. It might be useful under some circumstances.
Not sure which ones, though: "temph" is the temperature
for the fictitious degrees of freedom controlling the variable-cell
dynamics, not to be confused with the "true" temperature
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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