[QE-users] Temperature dependent enthalpy using Quantum Espresso

Pooja Vyas poojavyas595 at gmail.com
Mon Jan 25 09:10:16 CET 2021


Dear users,
I'm interested to compute temperature dependent enthalpy using QE. I
referred Example-04 of the CPV module for the same. However, I guess it
does not have variables such as Tmin or Tmax through which I can give a
temperature range for which I want Enthalpy. Can anyone suggest how I can
compute temperature dependent enthalpy?
Thanks.
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