Thanks for the response. The paper PRB 83 184420 (2011) is really useful
for me to understand the transport properties. The difference between my
system and this system described in this paper is only its insulating state
and competing magnetic ground state. I will be glad to have few more
Our experience is that you do need the proper ground state in similar cases
to what you describe. Check out, e.g. Figure 6 of our paper Phys. Rev B 83,
184420 (2011). You can see the thermopower of the FM solution has nothing
to do with that of the AF solution we propose (both solutions being
Dear Prof. Madsen, Prof. Blaha and wien users,
I intend to calculate the transport properties (thermal and electrical
conductivity) of strongly correlated systems having antiferromagnetic
(AFM) ground state.
With the experimental parameters having small unit cell, it is not possible
to find
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