[Pw_forum] Change of phase

[Mohammed Khalafalla]

Dear Hassan,
I guess you can do so by using the existing QE interface to either
ATAT (*https://www.brown.edu/Departments/Engineering/Labs/avdw/atat/
<https://www.brown.edu/Departments/Engineering/Labs/avdw/atat/>*) or
pymatgen (*http://pymatgen.org/ <http://pymatgen.org/>*) packages.
Regards,
M Khalafalla
Taibah University

On 30 December 2016 at 23:41, HASSAN AHMOUM <h.ahmoum at gmail.com> wrote:

> Dear all,
>
> can we use QUANTUM-espresso in order to study the phase change (cristallin
> structural) of a material with versus temperature and without changing of
> pressure?
>
> i remember someone ask same question this is 6 or 5 month ago!! but i
> did't found he's poster.
> Thanks in advance.
>
>
>
>
>
>
> *---------------------------------------------------------------------------------------------------------------------------
>      Hassan AHMOUMEquipe Physique de la Matière Condensée et Modélisation
> des sysèmes. (EPMCMS).Laboratoire Physique des Matériaux et Modélisation
> des Systèmes (LP2MS).Université Moulay Ismail- Faculté des Sciences de
> Meknès.BP 11201, Zitoune Meknès-MarocTel. +212 603-73-05-96*
>
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