[Wien] mixed phase of structure in Wien2k

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Thu Jul 13 20:15:21 CEST 2017


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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