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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