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,
Mutlu.
------------------------------------------Dr. Mutlu ÇOLAKOĞULLARITrakya
Universitesi Fen FakultesiFizik Bolumu22030 Merkez-EDİRNE
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