Magnetic moment constraints for the collinear case

[tomic]

It seems that VASP only implements the possibility to constrain the magnetic moments in non-collinear calculations. It would be nice to be able to just constrain the magnetic moments, without worrying whether they point in the right direction.

Is there any physical or technical reason this was not implemented?

[admin]

Any magnetic system can be treated as non collinear.

[tomic]

Any magnetic system can be treated as non collinear.

Yes. However, do I have to worry about magnetocrystalline anisotrpy then? In collinear calculation I don't have to worry how my magnetic moments orient in space, while in non-collinear my energies might depend on that.

[Neutrino]

Hi tomic,

If I understand your question correctly, then this tag might be what you are looking for:

http://cms.mpi.univie.ac.at/vasp/vasp/NUPDOWN.html


Mostafa

[tomic]

Hi tomic,

If I understand your question correctly, then this tag might be what you are looking for:

http://cms.mpi.univie.ac.at/vasp/vasp/NUPDOWN.html


Mostafa

No. Unfortunately, that is not it.