Re: [Wien] mixed phase of structure in Wien2k

14.07.2017 23:34, Dr. K. C. Bhamu wrote: On Thu, Jul 13, 2017 at 11:45 PM, Dr. K. C. Bhamu > wrote: Suppose a material exists in two phases with the ground state energy difference of the order of ~10^-3eV or higher order. Is it

Re: [Wien] mixed phase of structure in Wien2k

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 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

[Wien] mixed phase of structure in Wien2k

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