What are updated in spin-SOC with ICHARG=11?
Posted: Fri Nov 21, 2014 10:58 am
Hello and hi everyone
Dealing with magnetic anisotropies as the manual recommended, we should set ICHARG=11 and add some additional tags. In the case, may anyone tell me what are updated? As I am learned, wavefunctions will be updated. However, if the (spin) charge densities are kept fixed (during processing), how VASP can calculate the magnetic moment?
Any comment and reply will much appreciated!
Dealing with magnetic anisotropies as the manual recommended, we should set ICHARG=11 and add some additional tags. In the case, may anyone tell me what are updated? As I am learned, wavefunctions will be updated. However, if the (spin) charge densities are kept fixed (during processing), how VASP can calculate the magnetic moment?
Any comment and reply will much appreciated!