SOC has been implemented in VASP by Kaesse and Lebacq,[40] and calculations with SOC has be performed in the noncollinear mode implemented in VASP by Hobbs et .... Hi I've started calculations of system with heavy ions.
So I have to take into account spin - orbit coupling (LSORBIT = T, LNONCOLLINEAR = T .... In VASP there are two variables that control the magnetic moments imposed ... LSORBIT = .TRUE.
RWIGS = 2.00 1.87 1.78 1.24 # d-d/2 SAXIS = 0 0 1 LPLANE .... TRUE.
（LSORBIT= .TRUE. だと自動的に設定か？） ... LPARD = .TRUE. ...
LORBIT = 10 または 11 (Partial DOSの計算。10ではPAW球の内側のsやp, d軌道が出力される。11ではsやp, .... 6.68.2 LSORBIT-tag . ...
VASP VASP.5.2. The new release contains many additional features which enhance the functionality of the program package - we ....