[Pw_forum] Why QE can not calculate Elastic Constatnts?

[Bahadır salmankurt]

Dear Mojtaba Mirseraji

ev.x code can calculate Bulk modulus and its deriviate. On the other hand,
  ElasTic code ,which can work together QE, calculates elastic constants
which is related to shear modulus, B/G ratio , etc...  other ways to obtain
elastic constants is also available, as mentioned above...

Bests

2016-01-07 17:20 GMT+02:00 Mojtaba Mirseraji <quantum.pwscf at gmail.com>:

> Dear Users
>
> This is a serious question for me that why QE can not calculate
> Elastic constants, Bulk modulues, Shear modulus and all quantities
> related to Murrnaghan Formula?
>
> Because I know that other Codes such as Wien2k can calculate them !!!!!!!!
> Have you used a simple code to calculate them?
>
> Thanks
>
> Mojtaba Mirseraji
> Ph.D. Candidate
> Computational Condensed Matter Physics
> Arak Univ.
> Arak, IRAN
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-- 

Bahadır SALMANKURT
PhD student
Sakarya University, TURKEY
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