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try ELK
https://elk.sourceforge.io/
Magnetism
• Spin polarised calculations performed in the most general way: only (n(r); m(r)) and (vs(r); Bs(r)) are referred to in the code
• Spin symmetry broken by infinitesimal external fields
• Spin-orbit coupling (SOC) included in second-variational scheme
• Non-collinear magnetism (NCM) with arbitrary on-site magnetic fields
• Fixed spin-moment calculations (with SOC and NCM)
• Fixed tensor moment calculations (experimental)
• Spin-spirals for any q-vector
• Spin polarised cores
• Automatic determination of the magnetic anisotropy energy (MAE)
• Classical contribution of the spin and orbital dipole interaction can be added to the Kohn-Sham magnetic field
2Â¥2023-09-21 08:38:02
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