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 <[email protected]> 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 > [email protected] <mailto:[email protected]> > 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 [email protected] <mailto:[email protected]> office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
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