[Pw_forum] Spin orbit coupling in MoS2/WS2 systems
kanakeee08 at gmail.com
Wed May 4 07:21:04 CEST 2016
For spin orbit coupling inclusion in bandstructure calculation, we need to
use fully relativistic pseudopotentials as suggested here:
I wand to study the electronic properties of MoS2/WS2 bilayer system with
spin orbit coupling. However, I could not find any fully relativistic
pseudopotential in the library:
So, for DFT calculation of MoS2/WS2 bilayers with spin orbit correction,
what should be done? I have already done the calculation w/o spin orbit
Thanks in advance.
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