/gimic

Gauge-including magnetically induced currents.

Primary LanguageFortranGNU General Public License v2.0GPL-2.0

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GIMIC: gauge-including magnetically induced currents

About GIMIC

The GIMIC program calculates magnetically induced currents in molecules. You need to provide this program with a density matrix in atomic-orbital (AO) basis and three (effective) magnetically perturbed AO density matrices in the proper format.

Currently ACES2, Turbomole, G09, QChem, FERMION++, and LSDalton can produce these matrices.

Example

There is an annotated example input in the examples/ directory.