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This page gives hints on how to take into account an external magnetic field with the ABINIT package.


An applied external magnetic field has several types of interactions with a system of electrons and nuclei. In particular, it couples to the electronic spins (Zeeman term) as well as to the electronic orbital motion (orbital term). Input variables to deal with these two situations are decoupled in ABINIT. zeemanfield gives access to the Zeeman coupling. The coupling to the electronic orbital motion requires a more elaborate calculation, and is triggered by the input variable orbmag. It is implemented following the theory outlined in [Zwanziger2023]. For insulators, this calculation would typically be used in conjunction with an imposed nuclear magnetic dipole, see nucdipmom, in order to compute the chemical shielding as observed in NMR.

Input variables for both types of calculation are listed below, as well as relevant test files and the tutorial on properties at the nucleus.



Selected Input Files