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心有秦天玥

新虫 (正式写手)

[求助] 磁各向异性已有1人参与

谁有用castep算过磁各向异性
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wangyikeco

木虫 (正式写手)

newbie

【答案】应助回帖

感谢参与,应助指数 +1
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
2楼2023-09-21 08:38:02
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mo春春Cc

禁虫 (小有名气)

nono2009: 屏蔽内容, 违规存档 2023-10-03 09:37:33
本帖内容被屏蔽

3楼2023-09-27 10:06:55
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