How to find the easy axis of magnetic moment

Message

okuno · #1 Post by **okuno** » Thu Oct 26, 2006 4:07 pm

Dear Vasp Users and administrators of this site.

I want to calculate the magnetic system which is
G type antiferromagnet of perovskite.

I want to know the easy axis of magnetic moment,
how to find it by VASP?

Constrain the magnetic moment by hand, and compare
enegies amont some cases?

Or are there some method automatically find easy axis
of spin polarization direction.

Sincerely.

#2 Post by **admin** » Tue Nov 14, 2006 10:01 am

if vasp does not relax to the most stable non-collinear solution automatically, you have to compare the total energies of the magnetic configurations, you are right. I strongly recommend to use the latter approach.