[Pw_forum] free energy of vibration

German Lener germanlener at gmail.com
Thu Jun 15 00:59:54 CEST 2017


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
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Dr. German Lener
Laboratorio de Energías Sustentables
FaMAF-IFEG-UNC-Argentina
Laboratorio de Sólidos Porosos
INFAP-UNSL-Argentina
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