[Pw_forum] enthalpy in damped dynamic

[Stefano de Gironcoli]

On 05/29/2011 05:51 AM, Amin Torabi wrote:
> Dear all,
>
> When I use bfgs algorithm for ion_dynamics in vc-relax calculation, the
> enthalpy is calculated and can be found in the output file. However, it
> seems that no enthalpy information is provided when damped dynamics are
> used. Why is it so?
I think that what is printed as Etot is actually Enthalpy in the case of 
P/=0
stefano
-
Stefano de Gironcoli - SISSA and DEMOCRITOS

> Thanks in advance,
>
>
> Amin
>
>
>
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