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GW including spin orbit coupling?
Posted: Mon Jun 16, 2014 8:21 am
by phcl
It has been reported in Phys. Rev. B 75, 235102 (2007) that GW calculations including a full treatment of SO coupling were not possible using VASP. I wonder if it is now implemented in VASP.5.X? Thank you very much!
GW including spin orbit coupling?
Posted: Tue Jun 17, 2014 11:17 am
by admin
SOI under GW is in VASP.5 implemented.
GW including spin orbit coupling?
Posted: Tue Jun 17, 2014 11:52 am
by phcl
[quote="admin"]SOI under GW is in VASP.5 implemented.[/quote]
Very thanks for your reply! I still have some questions.
Could you show me how the SOI included in the GW calculations? Is it just include the SOI for the initial standard DFT calculations?