Dear Community,
I am working on K2MnF6 which has cubic lattice with Fm-3m symmetry (no 225). I 
have already done non-magnetic (NM) and ferromagnetic (FM) cases. 
Unfortunately, I have been locked to antiferromagnetic (AFM) case. 
Let me tell you the little story: its primitive cell has one Mn atom. This is 
binding my hands because I need at least two Mn atom in same site to work AFM 
if I am not wrong. Besides, its conventional cell has got four Mn atom which is 
very proper to study as AFM case at first sight with my poor knowledge.
Is it possible to work on band structure calculations and vibrational 
properties with conventional cell? If it is possible, must I do work together 
with "unfold.x" for correct band structure? If it is not possible, what must I 
do to work on AFM case.
Best regards,

------------------------------------------Dr. Mutlu ÇOLAKOĞULLARITrakya 
Universitesi Fen FakultesiFizik Bolumu22030 Merkez-EDİRNE
Pw_forum mailing list

Reply via email to