Non Collinear magnetism
Posted: Tue Nov 12, 2019 3:42 pm
I am interested in using VASP to do a non collinear magnetic calculation. Specifically, for a 2D material to check the magnetization direction relative to the plane. How do I set up the VASP calculation?
Also, how about if I choose the following options:
LSORBIT=.TRUE.
ICHARG=1
LMAXMIX=4
SAXIS=0 0 1
GGA_COMPAT=.FALSE.
LREAL=AUTO
Your suggestions would be greatly appreciated. Thanks.
Also, how about if I choose the following options:
LSORBIT=.TRUE.
ICHARG=1
LMAXMIX=4
SAXIS=0 0 1
GGA_COMPAT=.FALSE.
LREAL=AUTO
Your suggestions would be greatly appreciated. Thanks.