On Dec 20, 2012, at 24:16 , Ben Palmer wrote: > Hi everyone. When setting up an input file (and using the default for > ion_temperature), is the default temperature 0K? Does PWscf also > assume there's no external pressure on the supercell (by default)?
no temperature, no pressure in electronic-structure calculations. 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
