.gitignore
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.ruff.toml
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LICENSE
README.md
buildimage.sh
requirements.txt
setup.py
upload_to_pip.sh
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TB2J/.gitignore
TB2J/Jdownfolder.py
TB2J/Jtensor.py
TB2J/MAE.py
TB2J/MAEGreen.py
TB2J/Oiju.py
TB2J/Oiju_epc.py
TB2J/__init__.py
TB2J/anisotropy.py
TB2J/basis.py
TB2J/citation.py
TB2J/contour.py
TB2J/density_matrix.py
TB2J/epc.py
TB2J/exchange.py
TB2J/exchangeCL2.py
TB2J/exchange_params.py
TB2J/exchange_pert.py
TB2J/exchange_qspace.py
TB2J/gpaw_wrapper.py
TB2J/green.py
TB2J/greentest.py
TB2J/io_merge.py
TB2J/kpoints.py
TB2J/myTB.py
TB2J/mycfr.py
TB2J/orbital_magmom.py
TB2J/orbmap.py
TB2J/pauli.py
TB2J/pert.py
TB2J/plot.py
TB2J/rotate_atoms.py
TB2J/rotate_siestaDM.py
TB2J/sisl_wrapper.py
TB2J/symmetrize_J.py
TB2J/tensor_rotate.py
TB2J/thetaphi.py
TB2J/utest.py
TB2J/utils.py
TB2J/versioninfo.py
TB2J.egg-info/PKG-INFO
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TB2J.egg-info/dependency_links.txt
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TB2J/external/__init__.py
TB2J/external/p_tqdm.py
TB2J/interfaces/__init__.py
TB2J/interfaces/gpaw_interface.py
TB2J/interfaces/lawaf_interface.py
TB2J/interfaces/manager.py
TB2J/interfaces/siesta_interface.py
TB2J/interfaces/wannier90_interface.py
TB2J/interfaces/abacus/.gitignore
TB2J/interfaces/abacus/__init__.py
TB2J/interfaces/abacus/abacus_api.py
TB2J/interfaces/abacus/abacus_wrapper.py
TB2J/interfaces/abacus/gen_exchange_abacus.py
TB2J/interfaces/abacus/orbital_api.py
TB2J/interfaces/abacus/stru_api.py
TB2J/interfaces/abacus/test_density_matrix.py
TB2J/interfaces/abacus/test_read_HRSR.py
TB2J/interfaces/abacus/test_read_stru.py
TB2J/io_exchange/__init__.py
TB2J/io_exchange/io_exchange.py
TB2J/io_exchange/io_multibinit.py
TB2J/io_exchange/io_tomsasd.py
TB2J/io_exchange/io_txt.py
TB2J/io_exchange/io_uppasd.py
TB2J/io_exchange/io_vampire.py
TB2J/magnon/__init__.py
TB2J/magnon/io_exchange2.py
TB2J/magnon/magnon3.py
TB2J/magnon/magnon_io.py
TB2J/magnon/magnon_math.py
TB2J/magnon/plot.py
TB2J/magnon/structure.py
TB2J/mathutils/__init__.py
TB2J/mathutils/fermi.py
TB2J/mathutils/fibonacci_sphere.py
TB2J/mathutils/kR_convert.py
TB2J/mathutils/lowdin.py
TB2J/mathutils/rotate_spin.py
TB2J/spinham/__init__.py
TB2J/spinham/base_parser.py
TB2J/spinham/constants.py
TB2J/spinham/hamiltonian.py
TB2J/spinham/hamiltonian_terms.py
TB2J/spinham/plot.py
TB2J/spinham/qsolver.py
TB2J/spinham/spin_api.py
TB2J/spinham/spin_xml.py
TB2J/spinham/supercell.py
TB2J/wannier/__init__.py
TB2J/wannier/w90_parser.py
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docs/Makefile
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docs/index.rst
docs/make.bat
docs/requirements.txt
docs/_static/Logo-ULG.png
docs/_static/logo_TB2J_horizon.png
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docs/src/Contributors.rst
docs/src/ReleaseNotes.md
docs/src/SrMnO3_DOS.png
docs/src/abacus.md
docs/src/applications.rst
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docs/src/eigen.rst
docs/src/extend.rst
docs/src/faq.rst
docs/src/install.rst
docs/src/mae.md
docs/src/magnon_band.rst
docs/src/multibinit.rst
docs/src/openmx.rst
docs/src/orbital_contribution.md
docs/src/output.rst
docs/src/parameters.rst
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docs/src/magnon_band.assets/exchange_magnon-1593690872101.png
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examples/Siesta/BccFe/Fe.1.psml
examples/Siesta/BccFe/getJ.sh
examples/Siesta/BccFe/run.sh
examples/Siesta/BccFe/siesta.fdf
examples/Siesta/BccFe/TB2J_results/EigenJq.txt
examples/Siesta/BccFe/TB2J_results/TB2J.pickle
examples/Siesta/BccFe/TB2J_results/exchange.out
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examples/Siesta/BccFe/TB2J_results/Multibinit/magnon_band.json
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examples/Siesta/BccFe/TB2J_results/Multibinit/magnon_dos.png
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examples/Siesta/BccFe/TB2J_results/Multibinit/mb.in
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examples/Siesta/BccFe/TB2J_results/TomASD/exchange.exch
examples/Siesta/BccFe/TB2J_results/TomASD/exchange.ucf
examples/Siesta/HcpCo/Co.1.psml
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examples/Siesta/HcpCo/run.sh
examples/Siesta/HcpCo/siesta.fdf
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examples/Siesta/HcpCo/TB2J_results/exchange.out
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examples/Siesta/HcpCo/TB2J_results/Vampire/input
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examples/abinit-w90/SrMnO3/abinito_w90_down.win
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examples/abinit-w90/SrMnO3/abinito_w90_up.win
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examples/abinit-w90/SrMnO3/abinito_w90_up_hr.dat
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examples/abinit-w90/SrMnO3/run.sh
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examples/abinit-w90/SrMnO3/TB2J_results/assigned_basis.txt
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examples/abinit-w90/SrMnO3/TB2J_results/TomASD/exchange.exch
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examples/abinit-w90/SrMnO3/TB2J_results/Vampire/input
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scripts/TB2J_downfold.py
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scripts/TB2J_magnon.py
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scripts/TB2J_magnon_dos.py
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scripts/abacus2J.py
scripts/siesta2J.py
scripts/wann2J.py