Spin-orbit coupling and valence electrons
Posted: Thu Jul 10, 2014 3:34 pm
Can anyone help me with these questions:
1) Are PAW potentials fully relativistic i.e. for core electrons SOC is always included?
2) Is SOC included for valence electrons when LSORBIT = TRUE?
Thank you!
1) Are PAW potentials fully relativistic i.e. for core electrons SOC is always included?
2) Is SOC included for valence electrons when LSORBIT = TRUE?
Thank you!