Dear Prof. Blaha,
Is it possible to calculate Heat Capacity at constant pressure or volume with
WIEN2k package?
Your's,
Mahdi
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As far as I know, not with the current versions (13.1 or later) of Wien2k.
Maybe with the next release
[http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10640.html]?
Unfortunately, the next version is apparently taking longer than
originally estimated
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