Dear all,
I'm new in using DFT codes and especially pwscf.
I'd like to calculate the Gibbs free energy of a crystal as function of
temperature in order to study it's stability.
How would you proceed?
I thank you in advance,
Eric.
--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Dr. ?ric Germaneau <mailto:germaneau at gucas.ac.cn>
College of Physical Sciences
Graduate University of ChineseAcademy of Sciences
Yuquan Road 19A
Beijing 100049
China
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