# VASP GW+SOC band structure calculations

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.

• +1 welcome to our new community, and thank you for contributing your question here! We hope to see much more of you in the future!!! Jun 13 '21 at 3:42

Here I show the typical calculation flow of GW in VASP:

1. a DFT ground-state calculation.

2. obtain DFT virtual orbitals

3. GW calculation including LWANNIER90 TAG

4. Compute Wannier functions and Obtain bandstructure by Wannier interpolation.

PS1: use POTCAR like [XXX_GW].

PS2: If you want to include spin-orbit coupling, just add the following tags:

LSORBIT=.TRUE.
SAXIS= 0 0 1
ISYM=0