[Pw_forum] Applying temperature in simulations
Afshin Arjangmehr
ms.arjangmehr at gmail.com
Fri Aug 11 20:07:49 CEST 2017
Dear QE users and developers,
I intend to study the effect of temperature on mechanical properties of
metallic alloys (e.g. elastic constants, yield point, toughness, ... which
I have been able to calculate at the ground state in 0 K ) and wonder
whether QE has the capability of doing such a simulation?
If so, can you please give a quick guide on the steps that I should take to
reach to correct results?
I appreciate your kind responses in advance.
Best Regards,
Afshin
--
With Best Regards
Afshin Arjhangemehr
PhD candidate in Radiation Application
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170811/bb020317/attachment.html>
More information about the users
mailing list