[Pw_forum] How to calculate elastic constants?

[stefano de gironcoli]

I would use the strain-stress relationship to extract the elastic 
constants from distorted
crystals. pay attention to properly include relaxation of internal 
degrees of freedom
stefano


On 07/07/2015 15:42, Mojtaba Mirseraji wrote:
> Dear ESPRESSO users and developers
>
> I want to know how to calculate elastic constants (C33, C12, C13,C44,C66 ...) !
> Do you have any good paper that explain them step by step and easily?
>
> Regards
>
> Mojtaba Mirseraji
> Ph.D. Candidate
> Physics Department
> Arak Univ.
> I.R.IRAN
>
> On 6/23/15, Mojtaba Mirseraji <quantum.pwscf at gmail.com> wrote:
>> Dear ESPRESSO users and developers
>>
>> I want to know how to calculate elastic constants (C33, C12, C13,C44,C66
>> ...) !
>> Do you have any good paper that explain them step by step and easily?
>>
>> Regards
>>
>> Mojtaba Mirseraji
>> Ph.D. Candidate
>> Physics Department
>> Arak Univ.
>> I.R.IRAN
>>
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