[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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> 
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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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