/heisenberg_mapper

Simple extension of the HeisenbergMapper module in pymatgen that allows any nearest neighbors

Primary LanguagePython

heisenberg_mapper

Simple extension of the HeisenbergMapper module in pymatgen that allows any nearest neighbors

Please refer to https://pymatgen.org/pymatgen.analysis.magnetism.heisenberg.html for the original module. Script here allows for any degree of nearest neighbors and also does statistical analysis to select optimum number of interaction parameters among the ones that are given.

image

image