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Issues with J-dependence in the LSDA+U method for non-collinear magnets
first-principles LDA+U non-collinear magnetism magnetocrystalline anisotropy
2010/11/18
We re-examine the commonly used density functional theory plus Hubbard U (DFT+U) method
for the case of non-collinear magnets. While many studies neglect to explicitly include the exchange correction...