Re: [Wien] MAE calculation-lack of the same symmetry like crystal structure.

Hi, I can see from your table that the differences get smaller with increasing k-mesh. I suspect that the shifting of the k-mesh may cause the problem (and these problems get smaller when the k-mesh is increasing). Please check with non-shifted (gamma centered) k-meshes. Regards On 11/21/

[Wien] MAE calculation-lack of the same symmetry like crystal structure.

Dear Prof. Peter Blaha and wien2k users, excuse me for seed this message twice again because this problem is so important for me and I am very very very looking forward for your reply!!! I try to calculate the MAE of two-layer Co2FeAl film with total energy method as mentioned in sever