[Pw_forum] Fwd: entropy for CNT molecules

[gangotri dey]

Dear all,

I am trying to compute the entropy change for CNT molecules over a metal
surface. I found online that with the QHA package one can compute the
vibration entropy using FQHA.x. However, I could not find proper
documentation in order to know the input parameters. I was wondering if
someone already has some experience with it please?


Thank you

Gangotri Dey
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