[Pw_forum] want to calculate Thermal expansion coefficient and Gruneisen parameter

[Nicki Frank Hinsche]

Dear Peram,

be a little bit more curious and ambitious.
Try to google "pwscf grüneisen" and have fun with some of the first  
results, e.g.:

http://www.fisica.uniud.it/~giannozz/Papers/QHA.pdf

I remember times, when people read books and publications to  
understand physics...

best regards
Nicki

-------------------------------------------------------------
Nicki Frank Hinsche, Dr. rer. nat.
Institute of physics - Theoretical physics,
Martin-Luther-University Halle-Wittenberg,
Von-Seckendorff-Platz 1, Room 1.07
D-06120 Halle/Saale, Germany
Tel.: ++49 345 5525460
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> Date: Fri, 27 Sep 2013 18:14:51 +0530
> From: Peram sreenivasa reddy <peramsreenivas at gmail.com>
> Subject: [Pw_forum] want to calculate Thermal expansion coefficient
> 	and	Gruneisen parameter

> 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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