Low scaling GW with non-collinear spin calculations

[bo_peng]

Dear VASP Team,

I notice that VASP.6 has released Low scaling GW algorithms, and I am trying to use this to calculate excited state properties in the presence of spin-orbit coupling (non-collinear calculations). However, VASP gives me an error message saying that Low scaling GW cannot be used for non-collinear calculations. If I remember correctly, the reference PRB 98, 155143 (2018) does mention spin in the theoretical background. So I am just wondering, can Low scaling GW deal with systems with strong spin-orbit coupling? Thank you in advance!


Best regards,
Bo

[merzuk.kaltak]

Inclusion of spin-orbit coupling requires to take non-collinear magnetic moments into account.
For such calculations one should use the ncl-version of vasp (vasp_ncl).
However, currently WAVECARs with non-collinear magnetic moments (produced with vasp_ncl) cannot be used for low-scaling GW algorithms,
only ISPIN=1,2 calculations with vasp_std can be performed.

[bo_peng]

Thanks for the clarification! Just wondering, when will the vasp_ncl with low scaling GW be released? Thanks once again!

[merzuk.kaltak]

I don't know when non-collinear magnetism will be available in the low scaling GW code.