Dear Xavier,
Just to be sure: do you have 80 k-points in the shifted/unshifted kmesh
= 5 4 4 ?
You have checked the convergence on the Rkmax (6,7), did you check it on
the number of k-points?
I see in the FM calculation also a slightly non-symmetric curve, isn't
it? Maybe the two calculations have the same problem after all?
Best wishes
Lyudmila Dobysheva
On 09/01/18 09:44, Xavier Rocquefelte wrote:
These calculations have been done using...kmesh = 5 4 4 and in P1
symmetry.
09.01.2018 16:50, Xavier Rocquefelte wrote:
...it seems that the problem only appear in the case of AFM order
calculation. I never had curious MAE for FM calculations.
However, as shown in the document the MAE of AFM1 order is not
symmetric, which is not expected. In contrast the MAE for FM order is
symmetric.
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