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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