初始磁性时刻

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	This is the user forum of the DFT FLAPW code FLEUR. It is meant to be used as a place to asks questions to other users and the developers, to provide feedback and suggestions. The documentation of the code can be found at the FLEUR homepage.

FLEUR Forum � User support � Magnetism, Non-collinear calculations, SOC � 初始磁性时刻

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Announcements New releases, new features, important bugs User support Installation Inpgen -- the FLEUR input generator Problems while running SCF or other basic tasks DOS, Bandstructures, Relaxations Magnetism, Non-collinear calculations, SOC Wannier functions Other problems FUTURE related problems General discussion Feature requests Physics with FLEUR Open discourse

#1 | 初始磁性时刻 datum

datum

Thu May 27, 2021 9:38 am

MaX-Release 5.0 how to add initial magnetic moment

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#2 | RE: 初始磁性时刻 datum

datum

Thu May 27, 2021 10:49 am

Please have a look at the documentation, e.g. at https://www.flapw.de/MaX-5.1/documentati...ronConfigSetup/
The basic step you want to do is to occupy the initial spins differently for some valence states.

Hope this helps.

Daniel

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Convergence issues with LDA+U and Non-Collinear Magnetism � � Never converging fully-non collinear LDA+SO+U in 5.1

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