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Does non-collinear magnetism work with GGA functionals?

April 26, 2017functionals GGA magnetism non-collinear

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Does non-collinear magnetism work with GGA functionals?

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10 Posted

Yes, although strictly speaking it should only be used with LSDA functionals because a different spin-rotation is applied to the magnetisation at every point in space. 5.9 How can I run a spin-spiral calculation Set spinsprl to be .true. and select the particular q-vector you want with vqlss in reciprocal lattice coordinates.