[Pw_forum] Spin orbit coupling in MoS2/WS2 systems

[Kanak Datta]

Dear researchers

For spin orbit coupling inclusion in bandstructure calculation, we need to
use fully relativistic pseudopotentials as suggested here:
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node10.html

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:
http://www.quantum-espresso.org/pseudo-search-results/?el_id=74&unp_id&fun_id&colum_k&origin_id

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
coupling.

Thanks in advance.

Sincerely yours
Kanak
EEE, BUET
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