Request for non-collinear functional needed in gks and spin spiral calculation( directly setting q vector) #5268
YuleZhang936
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We will consider that, thanks for your advice! |
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Background
If abacus wants to handle non-collinear magnetism, generalized kohn-sham is needed. Thus, non-collinear functional is needed since gks needs noncollinear functional. A good application for non-collinear functional is spin spiral material.
Describe the solution you'd like
Here is a numerically stable option for non-collinear functional. To the best of what we know, it is the only one. We hope that abacus can have this non-collinear functional approach called the multi-collinear approach.
Ref: PHYSICAL REVIEW RESEARCH 5, 013036 (2023)
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