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spinpolarisation

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 here. The total magnetic moment of the unit cell can be constrained. The local magnetization can also be constrained.

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Selected Input Files

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Tutorials