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| description | authors |
|---|---|
| How to set parameters for a spin-polarized calculation | FJ |
This page gives hints on how to set parameters for a spin-polarized calculation with the ABINIT package.
Introduction
The electronic system may be computed in the spin-unpolarized or spin- polarized case, with the possibility to impose occupation numbers of majority and minority spins, and the spins of the starting configuration. A specific option for efficient treatment of anti-ferromagnetism (Shubnikov groups) is available. The treatment of non-collinear magnetism is available (some details of the implementation can de found pdf:noncol. The total magnetic moment of the unit cell can be constrained. The local magnetization can also be constrained.
Related Input Variables
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Selected Input Files
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Tutorials
- tutorial:spin presents the properties related to spin: spin-polarized calculations and spin-orbit coupling.