[Wien] elastic-under-pressure

[Peter Blaha]

For non-zero pressure there is a correction for most elastic constants. 
The "ELAST" package in wien2k should have this included, while IRelast 
has not yet.

On 10/19/2015 09:07 AM, ‪Amir lot‬ ‪ wrote:
> Dear Wien2k users,
> Can you guide me for finding equations of elastic constants under pressure?
> For example for cubic compounds and for finding C44 under strain as:
>   1      delta       0
>   delta   1          0
>   0         0       1/(1-delta^2)
>
> the equation will be as:
> E(V,delta) = E(V0,0)+V0(2C44*delat^2 + O(delta^4))
>
>
> and now, i would like to know how i must correct this equation or other
> equations under pressure.
> Please guide me
>
> Sincerely,
> Amir
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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