CHANGELOG.md
LICENSE
MANIFEST.in
README.md
README.zh-CN.md
README_PYPI.md
pyproject.toml
docs/README.en.pdf
docs/README.zh-CN.pdf
docs/how_to_update_pypi.md
docs/logo.png
docs/potential_examples.md
docs/readme-print.css
docs/render_readme_pdfs.mjs
docs/validation.md
docs/validation.zh-CN.md
docs/paper_figures/README.md
docs/paper_figures/bto_mode_spectroscopy.pdf
docs/paper_figures/bto_mode_spectroscopy.png
docs/paper_figures/bto_mode_spectroscopy.svg
docs/paper_figures/figure_manifest.json
docs/paper_figures/in2se3_hybrid_polarization.pdf
docs/paper_figures/in2se3_hybrid_polarization.png
docs/paper_figures/in2se3_hybrid_polarization.svg
docs/paper_figures/make_validation_figures.py
docs/paper_figures/source_data/bto/irreps.yaml
docs/paper_figures/source_data/bto/phonopy.yaml
docs/paper_figures/source_data/bto/qpoints.yaml
docs/paper_figures/source_data/bto/ir/ir_modes.csv
docs/paper_figures/source_data/bto/ir/ir_spectrum.dat
docs/paper_figures/source_data/bto/raman/raman_modes.csv
docs/paper_figures/source_data/bto/raman/raman_spectrum.dat
docs/paper_figures/source_data/bto/raman/raman_tensors.npy
docs/paper_figures/source_data/in2se3/Z-BORN-symm.out
docs/paper_figures/source_data/in2se3/phonopy.yaml
docs/paper_figures/source_data/in2se3/qpoints.yaml
docs/paper_figures/source_data/in2se3/profile/slab_charge_profile.csv
docs/paper_figures/source_data/in2se3/profile/slab_dipole_summary.json
docs/potential_examples/In2Se3-ElecStaticPot-XY-avg-cart-tile5x5.png
docs/potential_examples/In2Se3-ElecStaticPot-vs-Z.png
docs/potential_examples/MoS2-ElecStaticPot-XY-avg-cart-tile5x5.png
docs/potential_examples/MoS2-ElecStaticPot-vs-Z.png
docs/potential_examples/SnS-ElecStaticPot-DIR-a_minus_b-linear-smooth0p15.png
docs/potential_examples/SnS-ElecStaticPot-DIR-a_plus_b-compare-smooth0p15.png
docs/potential_examples/SnS-ElecStaticPot-DIR-a_plus_b-linear-smooth0p15.png
docs/potential_examples/SnS-ElecStaticPot-XY-avg-cart-tile5x5.png
docs/potential_examples/SnSe-ElecStaticPot-DIR-a_minus_b-linear-smooth0p15.png
docs/potential_examples/SnSe-ElecStaticPot-DIR-a_plus_b-compare-smooth0p15.png
docs/potential_examples/SnSe-ElecStaticPot-DIR-a_plus_b-linear-smooth0p15.png
docs/potential_examples/SnSe-ElecStaticPot-XY-avg-cart-tile5x5.png
docs/potential_examples/SnTe-ElecStaticPot-DIR-a_minus_b-linear-smooth0p15.png
docs/potential_examples/SnTe-ElecStaticPot-DIR-a_plus_b-compare-smooth0p15.png
docs/potential_examples/SnTe-ElecStaticPot-DIR-a_plus_b-linear-smooth0p15.png
docs/potential_examples/SnTe-ElecStaticPot-XY-avg-cart-tile5x5.png
job_scripts/README.md
job_scripts/job_BORN.slurm
tests/test_gen_polar.py
tests/test_md_dielectric.py
tests/test_phonon_gen.py
tests/test_phonon_post.py
tests/test_polarization_2d.py
tests/test_pyatb_compat.py
tests/test_spectra.py
tests/test_workflow.py
zstar/__init__.py
zstar/calc_kappa.py
zstar/cli.py
zstar/deal_polar.py
zstar/gen_polar.py
zstar/get_wyckoff.py
zstar/group_modesDB.py
zstar/md_dielectric.py
zstar/phonon_gen.py
zstar/phonon_post.py
zstar/phonopy_stru.py
zstar/polarization_2d.py
zstar/potential.py
zstar/pyatb_compat.py
zstar/read_irrep.py
zstar/spectra.py
zstar/stru_analyzer.py
zstar/verify_born_symmetry.py
zstar/workflow.py
zstar.egg-info/PKG-INFO
zstar.egg-info/SOURCES.txt
zstar.egg-info/dependency_links.txt
zstar.egg-info/entry_points.txt
zstar.egg-info/requires.txt
zstar.egg-info/top_level.txt