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Magnetic moment constraints for the collinear case
Posted: Thu Jun 11, 2015 3:18 pm
by 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?
Re: Magnetic moment constraints for the collinear case
Posted: Fri Jun 12, 2015 12:55 pm
by admin
Any magnetic system can be treated as non collinear.
Re: Magnetic moment constraints for the collinear case
Posted: Fri Jun 12, 2015 1:01 pm
by tomic
admin wrote: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.
Re: Magnetic moment constraints for the collinear case
Posted: Sat Jun 13, 2015 5:23 am
by 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
Re: Magnetic moment constraints for the collinear case
Posted: Mon Jun 15, 2015 9:56 am
by tomic
No. Unfortunately, that is not it.