[Wien] FeMn alloys

[ercan uçgun]

Dear WIEN2k users, 
I am working on Fe-%9Mn alloys. I have started with the structures of B1 and 
B2. I have just put Fe atoms at 0,0,0 and Mn atoms 1/2,1/2,1/2. In those 
structures is there any randomness? Actually in such a case what people do 
normally if he/she has WIEN2k. Would someone explain me please how to start 
calculations if there is no information about your structure? 
Thanks in advance. 



----------------------------------
Yard. Doc. Dr. Ercan UCGUN
Dumlupinar Universitesi
Fen Edebiyat Fakultesi
Fizik Bolumu Kutahya / TURKIYE

Dumlupinar University
Department of Physics
Kutahya / TURKEY
----------------------------------