[Pw_forum] Default PWscf Temperature/Pressure

Ben Palmer benpalmer1983 at gmail.com
Fri Dec 21 02:33:57 CET 2012


Hi Paolo, thank you!  All the best, Ben Palmer.
> 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
>
>
>
>
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