[Pw_forum] Why QE can not calculate Elastic Constatnts?

[Bramha Pandey]

Dear Mojtaba Mirseraji
You may consider the advice given by Prof. Stefano.
other tool is thermo_pw, which may solve your purpose.


-- 
Regards
Dr. Bramha P Pandey
Asstt. Prof. ECE Deptt.
GLA University, Mathura (U.P)
India-281406.

On Thu, Jan 7, 2016 at 9:04 PM, Bahadır salmankurt <bsalmankurt at gmail.com>
wrote:

> 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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