[Pw_forum] free energy of vibration

[Arles V. Gil Rebaza]

Dear German, could you try to use Phonopy code :
https://atztogo.github.io/phonopy/

Best

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Dr. Arles V. Gil Rebaza
Instituto de Física La Plata, IFLP - CONICET
La Plata - Argentina

2017-06-14 19:59 GMT-03:00 German Lener <germanlener at gmail.com>:

> Dear All
> Using the code fqha.x (calculation of phonons) it is possible to obtain
> the Free Energy of vibration. Since deltaA = deltaU - TS, is there any
> code to obtain the term dU or S?
>
> thanks
>
> German Lener
> --
>
> ------------------------------------------------------------
> --------------------
> Dr. German Lener
> Laboratorio de Energías Sustentables
> FaMAF-IFEG-UNC-Argentina
> Laboratorio de Sólidos Porosos
> INFAP-UNSL-Argentina
> ------------------------------------------------------------
> --------------------
>
>
>
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