[Pw_forum] Default PWscf Temperature/Pressure

[Paolo Giannozzi]

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