[QE-users] DF2 with non-collinear spin

[Ronald Cohen]

rvv1 also does not work with non-collinear magnetism:
from xc_vdW_DF : error #         4
     vdW functional not implemented for nspin > 2
though rvv1 is not spin dependent. It seems this should work with no changes.
Perhaps I do not understand .


Ron


> On Oct 21, 2021, at 5:04 PM, Ronald Cohen <rcohen at carnegiescience.edu> wrote:
> 
> I would like to use non-local van der Waals DF2 for non-collinear spins with spin-orbit, but get:
> vdW-DF not available for noncollinear spin case
> 
> .
> How hard would it be to include noncollinear spins here? Is it possible just to project to up and down and use that for the DF part? What about spin balanced? Would that work? If so, how would I switch that on now?
> 
> Any help would be appreciated!
> 
> Sincerely,
> 
> Ron
> 
> ---
> Ronald Cohen
> Extreme Materials Initiative
> Carnegie Institution for Science
> 5251 Broad Branch Rd., N.W.
> Washington, D.C. 20015
> rcohen at carnegiescience.edu <mailto:rcohen at carnegiescience.edu>
> office: 202-478-8937
> skype: ronaldcohen
> twitter: @recohen3

---
Ronald Cohen
Extreme Materials Initiative
Carnegie Institution for Science
5251 Broad Branch Rd., N.W.
Washington, D.C. 20015
rcohen at carnegiescience.edu <mailto:rcohen at carnegiescience.edu>
office: 202-478-8937
skype: ronaldcohen
twitter: @recohen3

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