Dear all,
I am trying to compute some thermodynamic properties on a system I am working
on as well as the Debye temperature. I have looked at the examples (Al, Si,...)
in the QHA folder; however I got confused about what the inputs should be for
both the thermodynamic properties and the Debye temperature computation.
(1) Can anyone please tell me explicitly what the inputs should be? I have
already done the PHDOS for my system.
(2) what executable should I use for both? is it the fqha.x?
Thank you in advance
Elias AlbertoUniversity of DerbyUK
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