The AMULET is a free software for scientific and/or educational purposes and it is distributed under FreeBSD License. To request a source code, a brief description of a planned research has to be submitted to This email address is being protected from spambots. You need JavaScript enabled to view it.. In the description one needs to indicate your affiliation and skills and explain shortly why conventional band structure methods do not work for your problems/compounds and what kind of improvements you are expecting from DMFT. The source code will be e-mailed to you if it is suitable for your study.
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Tools
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Exchange interaction parameters
There are a few ways to obtain the exchange interaction parameters of the Heisenberg model from an ab-initio DFT calculation. As a part of the AMULET toolbox, we provide the exchanges.x code that allows one to evaluate the magnetic interaction between several atoms and/or orbitals from a single spin-polarized DFT calculation using Green’s function method. The same data that is prepared as input for DMFT calculation (i.e. the projected Hamiltonian and the structural data), could be used to compute the J values.
The theoretical background and tests are descibed in [1] D. M. Korotin, V. V. Mazurenko, V. I. Anisimov, and S. V. Streltsov, Phys. Rev. B 91, 224405 (2015).
The source code and examples could be downloaded from https://github.com/dkorotin/exchanges