[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,

With Best Regards
Afshin Arjhangemehr
PhD candidate in Radiation Application
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