Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: TB2J: a python package for computing magnetic interaction parameters   We present TB2J, a Python package for the automatic computation of magnetic
interactions, including exchange and Dzyaloshinskii-Moriya interactions,
between atoms of magnetic crystals from the results of density functional
calculations. The program is based on the Green's function method with the
local rigid spin rotation treated as a perturbation. As input,the package uses
the output of either Wannier90, which is interfaced with many density
functional theory packages,or of codes based on localized orbitals. A minimal
user input is needed, which allows for easy integration into high-throughput
workflows. The package is open source under BSD 2-Clause license, available at
https://github.com/mailhexu/TB2J.

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The categories of this paper are: acc-phys
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The categories of this paper are: cs
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The categories of this paper are: stat
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The categories of this paper are: hep-lat
3
The categories of this paper are: physics
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The categories of this paper are: bayes-an
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The categories of this paper are: dg-ga
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The categories of this paper are: q-alg
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The categories of this paper are: patt-sol
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The categories of this paper are: math
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The categories of this paper are: q-fin
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The categories of this paper are: chao-dyn
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The categories of this paper are: nucl-ex
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The categories of this paper are: comp-gas
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The categories of this paper are: hep-ph
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The categories of this paper are: gr-qc