Re: heat capacity: NPT vs. NVT

From: Mark Abraham (
Date: Wed Oct 25 2006 - 19:56:15 CDT

Arturas Ziemys wrote:
> Hi,
> I want to calculate heat capacity (Cv) to my system according the example in the tutorial.
> There is given example of calculatib Cv in NVT. I thought that should be done in isobaric way - NPT. Can anybody shed some light onto that ?

Sure it should be done under NPT, if you want Cp.


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