[Wien] mixed phase of structure in Wien2k

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Fri Jul 14 21:34:17 CEST 2017


Dear Prof. Peter,
Any comment will be very helpful for me.

Regards
Bhamu



On Thu, Jul 13, 2017 at 11:45 PM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
wrote:

> Dear Prof Peter and Experts,
>
> Suppose a material exists in two phases with the ground state energy
> difference of the order of ~10^-3eV or higher order.
>
>
> Is it possible to simulate a mixed phase calculation for a compound in
> Wien2k? if not then why?
>
> If we can simulate, please let me know the process.
>
> Regards
> Bhamu
>
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