3
votes
Accepted
Spin-orbit coupling and lattice constant
It's hard to tell without any information about the material, but it could be a feature. It is known that transition metal compounds can have an involved interplay between spin-orbit coupling and the ...
- 4,711
2
votes
Does VASP include energy penalty contribution in OUTCAR energy of constrained moment calculation?
A colleague shared with me that the energy VASP outputs does seem to include E_p, since different LAMBDA gave her different ...
- 2,281
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