[Pw_forum] Thermo for ibrav=6 (tetragonal cell)
Paolo Giannozzi
paolo.giannozzi at uniud.it
Wed Jan 7 14:06:14 CET 2015
It's not part of the QE distribution
P.
On Wed, 2015-01-07 at 13:33 +0100, Suza W wrote:
> Dear Prof. Giannozzi,
>
>
> grep noncubic -B1 thermo_readin.f90
>
>
>
> gives :
>
> IF (ibrav > 3 .AND. what=='mur_lc_t') CALL errore('thermo_pw','option
> not &
> & available for noncubic systems',1)
>
>
> Thanks and regards,
>
> Suza.
>
>
>
>
> On Wed, Jan 7, 2015 at 12:12 PM, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> wrote:
> On Wed, 2014-12-24 at 15:07 +0100, Suza W wrote:
>
> > Error in routine thermo_pw (1):
> > option not available for noncubic systems
>
> $ grep thermo_pw */*.f90 */*/*.f90
>
> nothing found
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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