LICENSE
MANIFEST.in
README.md
__nanoversion__.txt
pyproject.toml
setup.py
c/_phonopy.c
c/derivative_dynmat.c
c/derivative_dynmat.h
c/dynmat.c
c/dynmat.h
c/phonopy.c
c/phonopy.h
c/rgrid.c
c/rgrid.h
c/tetrahedron_method.c
c/tetrahedron_method.h
example/Al-Fleur/FORCES
example/Al-Fleur/README
example/Al-Fleur/fleur_inpgen
example/Al-Fleur/phonopy_disp.yaml
example/Al-Fleur/supercell-001.in
example/Al-Fleur/IO/inp.xml
example/Al-Fleur/IO/kpts.xml
example/Al-Fleur/IO/out
example/Al-Fleur/IO/sym.xml
example/Al-QHA/Al-QHA.py
example/Al-QHA/POSCAR--1
example/Al-QHA/POSCAR--2
example/Al-QHA/POSCAR--3
example/Al-QHA/POSCAR--4
example/Al-QHA/POSCAR--5
example/Al-QHA/POSCAR-0
example/Al-QHA/POSCAR-1
example/Al-QHA/POSCAR-2
example/Al-QHA/POSCAR-3
example/Al-QHA/POSCAR-4
example/Al-QHA/POSCAR-5
example/Al-QHA/README
example/Al-QHA/e-v.dat
example/Al-QHA/thermal_properties.yaml--1
example/Al-QHA/thermal_properties.yaml--2
example/Al-QHA/thermal_properties.yaml--3
example/Al-QHA/thermal_properties.yaml--4
example/Al-QHA/thermal_properties.yaml--5
example/Al-QHA/thermal_properties.yaml-0
example/Al-QHA/thermal_properties.yaml-1
example/Al-QHA/thermal_properties.yaml-2
example/Al-QHA/thermal_properties.yaml-3
example/Al-QHA/thermal_properties.yaml-4
example/Al-QHA/thermal_properties.yaml-5
example/Al-hiphive/README.md
example/Al-hiphive/reference_data/POSCAR-001
example/Al-hiphive/reference_data/POSCAR-002
example/Al-hiphive/reference_data/POSCAR_prim
example/Al-hiphive/reference_data/vasprun.xml-001
example/Al-hiphive/reference_data/vasprun.xml-002
example/Al2O3/Al2O3.py
example/Al2O3/BORN
example/Al2O3/FORCE_SETS
example/Al2O3/POSCAR-unitcell
example/Al2O3/README
example/Al2O3/band.conf
example/Al2O3/phonopy_disp.yaml
example/Al2O3/vaspruns.tar.lzma
example/CaTiO3/FORCE_SETS
example/CaTiO3/POSCAR-unitcell
example/CaTiO3/phonopy_disp.yaml
example/CaTiO3/vaspruns.tar.lzma
example/Cr/FORCE_SETS
example/Cr/POSCAR-unitcell
example/Cr/README
example/Cr/phonopy_disp.yaml
example/Cr/vasprun.xml.xz
example/Cr-castep/FORCE_SETS
example/Cr-castep/README
example/Cr-castep/band.pdf
example/Cr-castep/make_displ_dirs.sh
example/Cr-castep/tail.cell
example/Cr-castep/unitcell.cell
example/Cu-QHA/POSCAR-00
example/Cu-QHA/POSCAR-01
example/Cu-QHA/POSCAR-02
example/Cu-QHA/POSCAR-03
example/Cu-QHA/POSCAR-04
example/Cu-QHA/POSCAR-05
example/Cu-QHA/POSCAR-06
example/Cu-QHA/POSCAR-07
example/Cu-QHA/POSCAR-08
example/Cu-QHA/POSCAR-09
example/Cu-QHA/POSCAR-10
example/Cu-QHA/README
example/Cu-QHA/e-v.dat
example/Cu-QHA/fe-v.dat
example/Cu-QHA/thermal_properties.yaml-00
example/Cu-QHA/thermal_properties.yaml-01
example/Cu-QHA/thermal_properties.yaml-02
example/Cu-QHA/thermal_properties.yaml-03
example/Cu-QHA/thermal_properties.yaml-04
example/Cu-QHA/thermal_properties.yaml-05
example/Cu-QHA/thermal_properties.yaml-06
example/Cu-QHA/thermal_properties.yaml-07
example/Cu-QHA/thermal_properties.yaml-08
example/Cu-QHA/thermal_properties.yaml-09
example/Cu-QHA/thermal_properties.yaml-10
example/Cu-QHA/vasprun.xmls.tar.lzma
example/Graphene-siesta/Gr.fdf
example/Graphene-siesta/README
example/Graphene-siesta/run_example.sh
example/Graphene-siesta/disp-001/Gr.FA
example/LiF-nosym/BORN
example/LiF-nosym/FORCE_SETS
example/LiF-nosym/POSCAR
example/LiF-nosym/README
example/MgB2/FORCE_SETS
example/MgB2/MgB2.py
example/MgB2/POSCAR-unitcell
example/MgB2/README
example/MgB2/band.conf
example/MgB2/phonopy_disp.yaml
example/MgB2/vaspruns.tar.lzma
example/MgO/BORN
example/MgO/FORCE_SETS
example/MgO/POSCAR-unitcell
example/MgO/README
example/MgO/band.conf
example/MgO/phonopy_disp.yaml
example/MgO/vaspruns.tar.lzma
example/NaCl/BORN
example/NaCl/FORCE_SETS
example/NaCl/NaCl-band-gv.py
example/NaCl/NaCl-band.py
example/NaCl/NaCl-dynmat.py
example/NaCl/NaCl-gv.py
example/NaCl/NaCl-read_write_fc.py
example/NaCl/NaCl-yaml.py
example/NaCl/NaCl.py
example/NaCl/POSCAR-unitcell
example/NaCl/README
example/NaCl/band-pdos.conf
example/NaCl/band.conf
example/NaCl/disp.yaml
example/NaCl/pdos.conf
example/NaCl/phonopy_disp.yaml
example/NaCl/vasprun.xml-001
example/NaCl/vasprun.xml-002
example/NaCl-CP2K/.gitignore
example/NaCl-CP2K/NaCl-supercell-001-forces-1_0.xyz
example/NaCl-CP2K/NaCl-supercell-002-forces-1_0.xyz
example/NaCl-CP2K/NaCl.inp
example/NaCl-CP2K/README.md
example/NaCl-CP2K/band.conf
example/NaCl-CP2K/phonopy_disp.yaml
example/NaCl-CRYSTAL/README
example/NaCl-CRYSTAL/TEMPLATE
example/NaCl-CRYSTAL/band.conf
example/NaCl-CRYSTAL/crystal.o
example/NaCl-CRYSTAL/supercell-001.o
example/NaCl-CRYSTAL/supercell-002.o
example/NaCl-QE/BORN
example/NaCl-QE/NaCl-001.in
example/NaCl-QE/NaCl-001.out
example/NaCl-QE/NaCl-002.in
example/NaCl-QE/NaCl-002.out
example/NaCl-QE/NaCl.in
example/NaCl-QE/NaCl.ph.in
example/NaCl-QE/NaCl.ph.out
example/NaCl-QE/README
example/NaCl-QE/band.conf
example/NaCl-QE/disp.yaml
example/NaCl-QE/header.in
example/NaCl-QE-q2r/NaCl.in
example/NaCl-QE-q2r/NaCl.ph-gamma.in
example/NaCl-QE-q2r/NaCl.ph.in
example/NaCl-QE-q2r/README
example/NaCl-QE-q2r/output888.tar.lzma
example/NaCl-QE-q2r/q2r.in
example/NaCl-VASPdfpt/FORCE_CONSTANTS
example/NaCl-VASPdfpt/OUTCAR
example/NaCl-VASPdfpt/POSCAR
example/NaCl-VASPdfpt/POSCAR-unitcell
example/NaCl-VASPdfpt/README
example/NaCl-VASPdfpt/band.conf
example/NaCl-VASPdfpt/vasprun.xml
example/NaCl-abinit/NaCl.in
example/NaCl-abinit/README
example/NaCl-abinit/band.conf
example/NaCl-abinit/disp.yaml
example/NaCl-abinit/supercell-001.out
example/NaCl-abinit/supercell-002.out
example/NaCl-castep/BORN
example/NaCl-castep/FORCE_SETS
example/NaCl-castep/README
example/NaCl-castep/band.conf
example/NaCl-castep/make_displ_dirs.sh
example/NaCl-castep/supercell.param
example/NaCl-castep/tail.cell
example/NaCl-castep/unitcell.cell
example/NaCl-gruneisen/README
example/NaCl-gruneisen/NaCl-0.995/BORN
example/NaCl-gruneisen/NaCl-0.995/FORCE_SETS
example/NaCl-gruneisen/NaCl-0.995/POSCAR-unitcell
example/NaCl-gruneisen/NaCl-1.00/BORN
example/NaCl-gruneisen/NaCl-1.00/FORCE_SETS
example/NaCl-gruneisen/NaCl-1.00/POSCAR-unitcell
example/NaCl-gruneisen/NaCl-1.005/BORN
example/NaCl-gruneisen/NaCl-1.005/FORCE_SETS
example/NaCl-gruneisen/NaCl-1.005/POSCAR-unitcell
example/NaCl-wien2k/NaCl-001.scf
example/NaCl-wien2k/NaCl-002.scf
example/NaCl-wien2k/NaCl.struct
example/NaCl-wien2k/README
example/NaCl-wien2k/band.conf
example/NaCl-wien2k/disp.yaml
example/NaCl-wien2k-P1/NaCl-001.scf
example/NaCl-wien2k-P1/NaCl-002.scf
example/NaCl-wien2k-P1/NaCl.struct
example/NaCl-wien2k-P1/README
example/NaCl-wien2k-P1/band.conf
example/Si/POSCAR-unitcell
example/Si/README
example/Si/mesh.conf
example/Si/phonopy_disp.yaml
example/Si/vasprun.xml
example/Si-CP2K/README.md
example/Si-CP2K/Si-supercell-001-forces-1_0.xyz
example/Si-CP2K/Si.inp
example/Si-CRYSTAL/README
example/Si-CRYSTAL/TEMPLATE
example/Si-CRYSTAL/band.conf
example/Si-CRYSTAL/crystal.o
example/Si-CRYSTAL/supercell-001.o
example/Si-QE/README
example/Si-QE/Si.in
example/Si-QE/disp.yaml
example/Si-QE/supercell-001.out
example/Si-QHA/POSCAR--1
example/Si-QHA/POSCAR--2
example/Si-QHA/POSCAR--3
example/Si-QHA/POSCAR--4
example/Si-QHA/POSCAR--5
example/Si-QHA/POSCAR-0
example/Si-QHA/POSCAR-1
example/Si-QHA/POSCAR-2
example/Si-QHA/POSCAR-3
example/Si-QHA/POSCAR-4
example/Si-QHA/POSCAR-5
example/Si-QHA/README
example/Si-QHA/Si.py
example/Si-QHA/disp.yaml
example/Si-QHA/e-v.dat
example/Si-QHA/thermal_properties.yaml--1
example/Si-QHA/thermal_properties.yaml--2
example/Si-QHA/thermal_properties.yaml--3
example/Si-QHA/thermal_properties.yaml--4
example/Si-QHA/thermal_properties.yaml--5
example/Si-QHA/thermal_properties.yaml-0
example/Si-QHA/thermal_properties.yaml-1
example/Si-QHA/thermal_properties.yaml-2
example/Si-QHA/thermal_properties.yaml-3
example/Si-QHA/thermal_properties.yaml-4
example/Si-QHA/thermal_properties.yaml-5
example/Si-QHA/vasprun_xmls.tar.lzma
example/Si-TURBOMOLE/README
example/Si-TURBOMOLE/band.conf
example/Si-TURBOMOLE/control
example/Si-TURBOMOLE/coord
example/Si-TURBOMOLE/example-001/auxbasis
example/Si-TURBOMOLE/example-001/basis
example/Si-TURBOMOLE/example-001/control
example/Si-TURBOMOLE/example-001/coord
example/Si-TURBOMOLE/example-001/energy
example/Si-TURBOMOLE/example-001/gradient
example/Si-TURBOMOLE/example-001/supercell-001.out
example/Si-abinit/README
example/Si-abinit/Si.in
example/Si-abinit/disp.yaml
example/Si-abinit/supercell-001.out
example/Si-elk/INFO.OUT
example/Si-elk/README
example/Si-elk/disp.yaml
example/Si-elk/elk-unitcell.in
example/Si-elk/elk.in
example/Si-gruneisen/README
example/Si-gruneisen/Si-gruneisen.py
example/Si-gruneisen/minus/FORCE_SETS
example/Si-gruneisen/minus/POSCAR-unitcell
example/Si-gruneisen/minus/disp.yaml
example/Si-gruneisen/minus/vasprun.xml
example/Si-gruneisen/orig/FORCE_SETS
example/Si-gruneisen/orig/POSCAR-unitcell
example/Si-gruneisen/orig/disp.yaml
example/Si-gruneisen/orig/vasprun.xml
example/Si-gruneisen/plus/FORCE_SETS
example/Si-gruneisen/plus/POSCAR-unitcell
example/Si-gruneisen/plus/disp.yaml
example/Si-gruneisen/plus/vasprun.xml
example/Si-nosym/POSCAR
example/Si-nosym/README
example/Si-nosym/disp.yaml
example/Si-nosym/mesh.conf
example/Si-nosym/vasprun_xmls.tar.lzma
example/Si-siesta/README
example/Si-siesta/Si.fdf
example/Si-siesta/run_example.sh
example/Si-siesta/disp-001/Si.FA
example/SiO2-HP/BORN
example/SiO2-HP/FORCE_SETS
example/SiO2-HP/INCAR
example/SiO2-HP/POSCAR-unitcell
example/SiO2-HP/README
example/SiO2-HP/anime.conf
example/SiO2-HP/band.conf
example/SiO2-HP/phonopy_disp.yaml
example/SiO2-HP/vaspruns.tar.lzma
example/SnO2/BORN
example/SnO2/FORCE_SETS
example/SnO2/POSCAR-unitcell
example/SnO2/README
example/SnO2/phonopy_disp.yaml
example/SnO2/vaspruns.tar.lzma
example/TiO2-anatase/BORN
example/TiO2-anatase/FORCE_SETS
example/TiO2-anatase/POSCAR-unitcell
example/TiO2-anatase/README
example/TiO2-anatase/band.conf
example/TiO2-anatase/phonopy_disp.yaml
example/TiO2-anatase/vaspruns.tar.lzma
example/ZnO/BORN
example/ZnO/FORCE_SETS
example/ZnO/POSCAR-unitcell
example/ZnO/README
example/ZnO/phonopy_disp.yaml
example/ZnO/vaspruns.tar.lzma
example/diamond-FHI-aims/README.md
example/diamond-FHI-aims/band.conf
example/diamond-FHI-aims/geometry.in
example/diamond-FHI-aims/disp-001/aims.out
example/diamond-FHI-aims/disp-001/control.in
example/diamond-FHI-aims/disp-001/geometry.in
example/diamond-dftb/README
example/diamond-dftb/band.conf
example/diamond-dftb/dftb_in.hsd
example/diamond-dftb/geo.gen
example/diamond-dftb/results.tag
phonopy/__init__.py
phonopy/api_gruneisen.py
phonopy/api_phonopy.py
phonopy/api_qha.py
phonopy/file_IO.py
phonopy/units.py
phonopy/version.py
phonopy.egg-info/PKG-INFO
phonopy.egg-info/SOURCES.txt
phonopy.egg-info/dependency_links.txt
phonopy.egg-info/requires.txt
phonopy.egg-info/top_level.txt
phonopy/cui/__init__.py
phonopy/cui/collect_cell_info.py
phonopy/cui/create_force_sets.py
phonopy/cui/load.py
phonopy/cui/load_helper.py
phonopy/cui/phonopy_argparse.py
phonopy/cui/phonopy_script.py
phonopy/cui/settings.py
phonopy/cui/show_symmetry.py
phonopy/gruneisen/__init__.py
phonopy/gruneisen/band_structure.py
phonopy/gruneisen/core.py
phonopy/gruneisen/mesh.py
phonopy/harmonic/__init__.py
phonopy/harmonic/derivative_dynmat.py
phonopy/harmonic/displacement.py
phonopy/harmonic/dynamical_matrix.py
phonopy/harmonic/dynmat_to_fc.py
phonopy/harmonic/force_constants.py
phonopy/interface/__init__.py
phonopy/interface/abinit.py
phonopy/interface/aims.py
phonopy/interface/alm.py
phonopy/interface/calculator.py
phonopy/interface/castep.py
phonopy/interface/cif.py
phonopy/interface/cp2k.py
phonopy/interface/crystal.py
phonopy/interface/dftbp.py
phonopy/interface/elk.py
phonopy/interface/fc_calculator.py
phonopy/interface/fleur.py
phonopy/interface/hiphive_interface.py
phonopy/interface/phonopy_yaml.py
phonopy/interface/qe.py
phonopy/interface/siesta.py
phonopy/interface/turbomole.py
phonopy/interface/vasp.py
phonopy/interface/wien2k.py
phonopy/phonon/__init__.py
phonopy/phonon/animation.py
phonopy/phonon/band_structure.py
phonopy/phonon/character_table.py
phonopy/phonon/degeneracy.py
phonopy/phonon/dos.py
phonopy/phonon/group_velocity.py
phonopy/phonon/irreps.py
phonopy/phonon/mesh.py
phonopy/phonon/modulation.py
phonopy/phonon/moment.py
phonopy/phonon/qpoints.py
phonopy/phonon/random_displacements.py
phonopy/phonon/tetrahedron_mesh.py
phonopy/phonon/thermal_displacement.py
phonopy/phonon/thermal_properties.py
phonopy/qha/__init__.py
phonopy/qha/core.py
phonopy/qha/electron.py
phonopy/qha/eos.py
phonopy/spectrum/__init__.py
phonopy/spectrum/dynamic_structure_factor.py
phonopy/spectrum/velocity.py
phonopy/structure/__init__.py
phonopy/structure/atoms.py
phonopy/structure/brillouin_zone.py
phonopy/structure/cells.py
phonopy/structure/dataset.py
phonopy/structure/grid_points.py
phonopy/structure/snf.py
phonopy/structure/symmetry.py
phonopy/structure/tetrahedron_method.py
phonopy/unfolding/__init__.py
phonopy/unfolding/core.py
scripts/phonopy
scripts/phonopy-bandplot
scripts/phonopy-calc-convert
scripts/phonopy-crystal-born
scripts/phonopy-gruneisen
scripts/phonopy-gruneisenplot
scripts/phonopy-load
scripts/phonopy-pdosplot
scripts/phonopy-propplot
scripts/phonopy-qha
scripts/phonopy-tdplot
scripts/phonopy-vasp-born
scripts/phonopy-vasp-efe
test/BORN_NaCl
test/BORN_SnO2
test/BORN_TiO2
test/FORCE_SETS_NaCl
test/FORCE_SETS_SnO2
test/FORCE_SETS_TiO2
test/POSCAR_NaCl
test/conftest.py
test/phonopy_disp_NaCl.yaml
test/phonopy_disp_SnO2.yaml
test/phonopy_disp_TiO2.yaml
test/phonopy_params_NaCl-0.995.yaml.xz
test/phonopy_params_NaCl-1.00.yaml.xz
test/phonopy_params_NaCl-1.005.yaml.xz
test/phonopy_params_Si.yaml
test/phonopy_params_TiPN3.yaml.xz
test/phonopy_params_Zr3N4.yaml
test/gruneisen/test_gruneisen.py
test/harmonic/test_derivative_dynmat.py
test/harmonic/test_displacements.py
test/harmonic/test_dynamical_matrix.py
test/harmonic/test_dynmat_to_fc.py
test/harmonic/test_force_constants.py
test/interface/BaGa2-wien2k.yaml
test/interface/BaGa2.struct
test/interface/NaCl-abinit-pwscf.yaml
test/interface/NaCl-abinit.in
test/interface/NaCl-castep.cell
test/interface/NaCl-castep.yaml
test/interface/NaCl-pwscf.in
test/interface/NaCl-vasp.yaml
test/interface/Si-CP2K.inp
test/interface/Si-CP2K.yaml
test/interface/Si-CRYSTAL.o
test/interface/Si-CRYSTAL.yaml
test/interface/Si-TURBOMOLE-control
test/interface/Si-TURBOMOLE.yaml
test/interface/phonopy.yaml
test/interface/test_CP2K.py
test/interface/test_CRYSTAL.py
test/interface/test_TURBOMOLE.py
test/interface/test_abinit.py
test/interface/test_castep.py
test/interface/test_phonopy_yaml.py
test/interface/test_pwscf.py
test/interface/test_vasp.py
test/interface/test_wien2k.py
test/interface/vasprun.xml.tar.bz2
test/phonon/FORCE_SETS_Amm2
test/phonon/FORCE_SETS_I4_1a
test/phonon/FORCE_SETS_P-3m1
test/phonon/FORCE_SETS_P-4
test/phonon/FORCE_SETS_P-42_1m
test/phonon/FORCE_SETS_P-43m
test/phonon/FORCE_SETS_P-6
test/phonon/FORCE_SETS_P-6m2
test/phonon/FORCE_SETS_P2
test/phonon/FORCE_SETS_P222_1
test/phonon/FORCE_SETS_P2_13
test/phonon/FORCE_SETS_P3m1
test/phonon/FORCE_SETS_P4_1
test/phonon/FORCE_SETS_P4_332
test/phonon/FORCE_SETS_P4mm
test/phonon/FORCE_SETS_P6
test/phonon/FORCE_SETS_P6_222
test/phonon/FORCE_SETS_Pa-3
test/phonon/FORCE_SETS_Pc
test/phonon/POSCAR_Amm2
test/phonon/POSCAR_I4_1a
test/phonon/POSCAR_P-3m1
test/phonon/POSCAR_P-4
test/phonon/POSCAR_P-42_1m
test/phonon/POSCAR_P-43m
test/phonon/POSCAR_P-6
test/phonon/POSCAR_P-6m2
test/phonon/POSCAR_P2
test/phonon/POSCAR_P222_1
test/phonon/POSCAR_P2_13
test/phonon/POSCAR_P3m1
test/phonon/POSCAR_P4_1
test/phonon/POSCAR_P4_332
test/phonon/POSCAR_P4mm
test/phonon/POSCAR_P6
test/phonon/POSCAR_P6_222
test/phonon/POSCAR_Pa-3
test/phonon/POSCAR_Pc
test/phonon/eigvecs_ii_TiPN3.txt
test/phonon/eigvecs_ij_TiPN3.txt
test/phonon/test_band_structure.py
test/phonon/test_dos.py
test/phonon/test_group_velocity.py
test/phonon/test_irreps.py
test/phonon/test_mesh.py
test/phonon/test_modulation.py
test/phonon/test_moment.py
test/phonon/test_qpoints.py
test/phonon/test_random_displacements.py
test/phonon/test_tetrahedron_mesh.py
test/phonon/test_thermal_displacement.py
test/phonon/test_thermal_properties.py
test/qha/test_QHA.py
test/qha/test_electron.py
test/qha/tprop.dat
test/spectrum/XDATCAR
test/spectrum/test_dynamic_structure_factor.py
test/spectrum/test_velocity.py
test/spectrum/velocities.dat
test/structure/Si-conv.yaml
test/structure/SiO2-123.yaml
test/structure/test_atoms.py
test/structure/test_brillouin_zone.py
test/structure/test_cells.py
test/structure/test_grid_points.py
test/structure/test_symmetry.py
test/structure/test_tetrahedron_method.py
test/structure/tio2_qpoints.yaml
test/unfolding/FORCE_SETS
test/unfolding/bin-unfolding.dat
test/unfolding/bin-unfolding_to_atoms.dat
test/unfolding/plot_band.py
test/unfolding/test_unfolding.py