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 (tempw). P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
