[Pw_forum] help me: how to calculate free energy

[Paolo Giannozzi]

On Tuesday 22 August 2006 16:39, hailin yu wrote:

> at the range of 0~400 K, our results ( free energy) decrease nearly 6 eV,
> while the previous work is about 0.26 eV. Where are wrong?

you carefully checked units, didn't you?

Paolo
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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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