How may I carry out GW+SOC a band structure calculation using VASP? Could anyone familiar describe it step-by-step? I could not find any info regarding this on the VASP wiki.
Here I show the typical calculation flow of GW in VASP:
a DFT ground-state calculation.
obtain DFT virtual orbitals
GW calculation including LWANNIER90 TAG
Compute Wannier functions and Obtain bandstructure by Wannier interpolation.
POTCAR like [
PS2: If you want to include spin-orbit coupling, just add the following tags:
LSORBIT=.TRUE. SAXIS= 0 0 1 ISYM=0