Spin Orbit coupling implementation
Posted: Thu May 03, 2012 12:02 am
Hi,
i have been trying to find out how LS-coupling is implemented in VASP but wasn't successful in the documentation or in finding papers.
It would be very kind if someone can refer me to some papers or just hint at the
general procedure.
Is there some kind of LS term added in the non collinear KS equation? If so i would be really interested from what kind of LS-hamiltonian it is dervied from and how it looks.
would really appreciate some help,
thanks in advance
F. symalla
i have been trying to find out how LS-coupling is implemented in VASP but wasn't successful in the documentation or in finding papers.
It would be very kind if someone can refer me to some papers or just hint at the
general procedure.
Is there some kind of LS term added in the non collinear KS equation? If so i would be really interested from what kind of LS-hamiltonian it is dervied from and how it looks.
would really appreciate some help,
thanks in advance
F. symalla