Dear vasp-community,
I have to constraint the direction of the magnetic moment of an AFM structure as here. I need to flip the first atom from 0 0 1 to 0 0 -1.
I_CONSTRAINED_M = 1
M_CONSTR = 0 0 -1 0 0 1
MAGMOM = 0 0 3 0 0 3
The structure is going back to FM after a non-collinear calculation. The constraint didn't work. Could anyone tell me why?
Thanks
AFM and magnetic constraint
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chandani_nandadasa1
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Re: AFM and magnetic constraint
The provided information is insufficient to answer your question.
Uploading more information in form of an error report (see guidelines in bug forum) might help the community to understand the origin of the problem.
Uploading more information in form of an error report (see guidelines in bug forum) might help the community to understand the origin of the problem.