LICENSE
MANIFEST.in
README.md
pyproject.toml
src/phelel/__init__.py
src/phelel/api_phelel.py
src/phelel/file_IO.py
src/phelel/version.py
src/phelel.egg-info/PKG-INFO
src/phelel.egg-info/SOURCES.txt
src/phelel.egg-info/dependency_links.txt
src/phelel.egg-info/entry_points.txt
src/phelel.egg-info/requires.txt
src/phelel.egg-info/top_level.txt
src/phelel/base/Dij_qij.py
src/phelel/base/local_potential.py
src/phelel/cui/create_supercells.py
src/phelel/cui/load.py
src/phelel/cui/phelel_argparse.py
src/phelel/cui/phelel_script.py
src/phelel/cui/settings.py
src/phelel/interface/phelel_yaml.py
src/phelel/interface/vasp/derivatives.py
src/phelel/interface/vasp/file_IO.py
src/phelel/interface/vasp/procar.py
src/phelel/interface/vasp/show_data.py
src/phelel/scripts/phelel.py
src/phelel/scripts/phelel_load.py
src/phelel/utils/data.py
src/phelel/utils/eliashberg_tool.py
src/phelel/utils/lattice_points.py
src/phelel/utils/spherical_harmonics.py
src/phelel/utils/spinor.py
src/phelel/velph/__init__.py
src/phelel/velph/cli/__init__.py
src/phelel/velph/cli/utils.py
src/phelel/velph/cli/el_bands/__init__.py
src/phelel/velph/cli/el_bands/generate.py
src/phelel/velph/cli/el_bands/plot.py
src/phelel/velph/cli/generate/__init__.py
src/phelel/velph/cli/hints/__init__.py
src/phelel/velph/cli/init/__init__.py
src/phelel/velph/cli/init/init.py
src/phelel/velph/cli/nac/__init__.py
src/phelel/velph/cli/nac/generate.py
src/phelel/velph/cli/ph_bands/__init__.py
src/phelel/velph/cli/ph_bands/generate.py
src/phelel/velph/cli/ph_bands/plot.py
src/phelel/velph/cli/phelel/__init__.py
src/phelel/velph/cli/phelel/differentiate.py
src/phelel/velph/cli/phelel/generate.py
src/phelel/velph/cli/phelel/init.py
src/phelel/velph/cli/phelel/phonopy.py
src/phelel/velph/cli/phono3py/__init__.py
src/phelel/velph/cli/phono3py/generate.py
src/phelel/velph/cli/phono3py/init.py
src/phelel/velph/cli/phonopy/__init__.py
src/phelel/velph/cli/phonopy/generate.py
src/phelel/velph/cli/phonopy/init.py
src/phelel/velph/cli/relax/__init__.py
src/phelel/velph/cli/relax/generate.py
src/phelel/velph/cli/selfenergy/__init__.py
src/phelel/velph/cli/selfenergy/generate.py
src/phelel/velph/cli/transport/__init__.py
src/phelel/velph/cli/transport/generate.py
src/phelel/velph/cli/transport/plot/__init__.py
src/phelel/velph/cli/transport/plot/plot_eigenvalues.py
src/phelel/velph/cli/transport/plot/plot_selfenergy.py
src/phelel/velph/cli/transport/plot/plot_transport.py
src/phelel/velph/templates/__init__.py
src/phelel/velph/utils/__init__.py
src/phelel/velph/utils/scheduler.py
src/phelel/velph/utils/vasp.py
test/LOCAL-POTENTIAL_C111_disp001.bin.xz
test/LOCAL-POTENTIAL_C111_perfect.bin.xz
test/LOCAL-POTENTIAL_CdAs2_111_disp001.bin.xz
test/LOCAL-POTENTIAL_CdAs2_111_disp002.bin.xz
test/LOCAL-POTENTIAL_CdAs2_111_disp003.bin.xz
test/LOCAL-POTENTIAL_CdAs2_111_disp004.bin.xz
test/LOCAL-POTENTIAL_CdAs2_111_disp005.bin.xz
test/LOCAL-POTENTIAL_CdAs2_111_perfect.bin.xz
test/LOCAL-POTENTIAL_NaCl111_disp001.bin.xz
test/LOCAL-POTENTIAL_NaCl111_disp002.bin.xz
test/LOCAL-POTENTIAL_NaCl111_perfect.bin.xz
test/PAW-OVERLAP_C111_disp001.bin
test/PAW-OVERLAP_C111_perfect.bin
test/PAW-OVERLAP_CdAs2_111_disp001.bin
test/PAW-OVERLAP_CdAs2_111_disp002.bin
test/PAW-OVERLAP_CdAs2_111_disp003.bin
test/PAW-OVERLAP_CdAs2_111_disp004.bin
test/PAW-OVERLAP_CdAs2_111_disp005.bin
test/PAW-OVERLAP_CdAs2_111_perfect.bin
test/PAW-OVERLAP_NaCl111_disp001.bin
test/PAW-OVERLAP_NaCl111_disp002.bin
test/PAW-OVERLAP_NaCl111_perfect.bin
test/PAW-STRENGTH_C111_disp001.bin
test/PAW-STRENGTH_C111_perfect.bin
test/PAW-STRENGTH_CdAs2_111_disp001.bin
test/PAW-STRENGTH_CdAs2_111_disp002.bin
test/PAW-STRENGTH_CdAs2_111_disp003.bin
test/PAW-STRENGTH_CdAs2_111_disp004.bin
test/PAW-STRENGTH_CdAs2_111_disp005.bin
test/PAW-STRENGTH_CdAs2_111_perfect.bin
test/PAW-STRENGTH_NaCl111_disp001.bin
test/PAW-STRENGTH_NaCl111_disp002.bin
test/PAW-STRENGTH_NaCl111_perfect.bin
test/conftest.py
test/inwap_C111.yaml
test/inwap_CdAs2_111.yaml
test/inwap_NaCl111.yaml
test/phelel_disp_C111.yaml
test/phelel_disp_CdAs2.yaml
test/phelel_disp_NaCl111.yaml
test/phelel_params_C111.hdf5
test/phelel_params_CdAs2_111.hdf5
test/phelel_params_NaCl111.hdf5
test/test_api_phelel.py
test/test_file_IO.py
test/base/test_Dij_qji.py
test/cui/test_phelel_cui.py
test/interface/test_phelel_yaml.py
test/interface/vasp/POSCAR-unitcell_C111
test/interface/vasp/phelel_disp_C111.yaml
test/interface/vasp/test_derivatives.py
test/interface/vasp/vasprun_NaCl111_disp000.xml.xz
test/interface/vasp/vasprun_NaCl111_disp001.xml.xz
test/interface/vasp/vasprun_NaCl111_disp002.xml.xz
test/interface/vasp/C111-ncl_disp-000/LOCAL-POTENTIAL.bin.xz
test/interface/vasp/C111-ncl_disp-000/PAW-OVERLAP.bin
test/interface/vasp/C111-ncl_disp-000/PAW-Rnij.bin
test/interface/vasp/C111-ncl_disp-000/PAW-STRENGTH.bin
test/interface/vasp/C111-ncl_disp-000/inwap.yaml
test/interface/vasp/C111-ncl_disp-000/vasprun.xml.xz
test/interface/vasp/C111-ncl_disp-001/LOCAL-POTENTIAL.bin.xz
test/interface/vasp/C111-ncl_disp-001/PAW-OVERLAP.bin
test/interface/vasp/C111-ncl_disp-001/PAW-Rnij.bin
test/interface/vasp/C111-ncl_disp-001/PAW-STRENGTH.bin
test/interface/vasp/C111-ncl_disp-001/inwap.yaml
test/interface/vasp/C111-ncl_disp-001/vasprun.xml.xz
test/interface/vasp/C111_disp-000/LOCAL-POTENTIAL.bin.xz
test/interface/vasp/C111_disp-000/PAW-OVERLAP.bin
test/interface/vasp/C111_disp-000/PAW-Rnij.bin
test/interface/vasp/C111_disp-000/PAW-STRENGTH.bin
test/interface/vasp/C111_disp-000/inwap.yaml
test/interface/vasp/C111_disp-000/vasprun.xml.xz
test/interface/vasp/C111_disp-001/LOCAL-POTENTIAL.bin.xz
test/interface/vasp/C111_disp-001/PAW-OVERLAP.bin
test/interface/vasp/C111_disp-001/PAW-Rnij.bin
test/interface/vasp/C111_disp-001/PAW-STRENGTH.bin
test/interface/vasp/C111_disp-001/inwap.yaml
test/interface/vasp/C111_disp-001/vasprun.xml
test/utils/test_lattice_points.py
test/utils/test_spherical_harmonics.py
test/utils/test_spinor.py
test/velph/conftest.py
test/velph/cli/test_unitls_kspacing_to_mesh.py
test/velph/cli/test_utils.py
test/velph/cli/el_bands/plot/test_plot.py
test/velph/cli/el_bands/plot/TiNiSn/bands/vaspout.h5
test/velph/cli/el_bands/plot/TiNiSn/dos/vaspout.h5
test/velph/cli/init/POSCAR_NaCl
test/velph/cli/init/POSCAR_Ti
test/velph/cli/init/test_cmd_init.py
test/velph/cli/phelel/differentiate/phelel_disp_C111-222.yaml
test/velph/cli/phelel/differentiate/phelel_disp_C222.yaml
test/velph/cli/phelel/differentiate/test_differentiate.py
test/velph/cli/phelel/differentiate/C111/phelel_disp_C111.yaml
test/velph/cli/phelel/differentiate/C111/phelel/disp-000/LOCAL-POTENTIAL.bin.xz
test/velph/cli/phelel/differentiate/C111/phelel/disp-000/PAW-OVERLAP.bin
test/velph/cli/phelel/differentiate/C111/phelel/disp-000/PAW-Rnij.bin
test/velph/cli/phelel/differentiate/C111/phelel/disp-000/PAW-STRENGTH.bin
test/velph/cli/phelel/differentiate/C111/phelel/disp-000/inwap.yaml
test/velph/cli/phelel/differentiate/C111/phelel/disp-000/vasprun.xml.xz
test/velph/cli/phelel/differentiate/C111/phelel/disp-001/LOCAL-POTENTIAL.bin.xz
test/velph/cli/phelel/differentiate/C111/phelel/disp-001/PAW-OVERLAP.bin
test/velph/cli/phelel/differentiate/C111/phelel/disp-001/PAW-Rnij.bin
test/velph/cli/phelel/differentiate/C111/phelel/disp-001/PAW-STRENGTH.bin
test/velph/cli/phelel/differentiate/C111/phelel/disp-001/inwap.yaml
test/velph/cli/phelel/differentiate/C111/phelel/disp-001/vasprun.xml
test/velph/cli/phelel/init/test_phelel_init.py
test/velph/cli/phelel/init/nac_Bi2Te3_ucell/test_nac_Bi2Te3_ucell.py
test/velph/cli/phelel/init/nac_Bi2Te3_ucell/nac/vasprun.xml
test/velph/cli/phelel/init/nac_NaCl_pcell/test_nac_NaCl_pcell.py
test/velph/cli/phelel/init/nac_NaCl_pcell/nac/vasprun.xml
test/velph/cli/phelel/init/nac_NaCl_ucell/test_nac_NaCl_ucell.py
test/velph/cli/phelel/init/nac_NaCl_ucell/nac/vasprun.xml
test/velph/cli/phono3py/init/test_phono3py_init.py
test/velph/cli/phonopy/init/test_phonopy_init.py
test/velph/utils/fftchk.dat.bz2
test/velph/utils/test_scheduler.py
test/velph/utils/test_vasp.py
test/velph/workflows/test_symmetrize.py