[Pw_forum] want to calculate Thermal expansion coefficient and Gruneisen parameter
Peram sreenivasa reddy
peramsreenivas at gmail.com
Fri Sep 27 14:44:51 CEST 2013
Dear pw_forum members,
I want to study thermal properties of a X2YZ type compound. I run QHA
successfully. In that QHA.out file i am getting only Cv, Free energy,
Internal energy and Entropy.
I want to calculate Thermal expansion coefficient and Gruneisen parameter.
Please advise me how to calculate these two parameters.
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