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LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
elastool/calc_elastic_constants.py
elastool/calc_elastic_elate.py
elastool/calc_stress.py
elastool/christoffel.py
elastool/deform_cell_asess_strains.py
elastool/deform_cell_ohess_strains.py
elastool/deform_cell_ulics.py
elastool/elastool
elastool/elastool_elate_browser.py
elastool/elastoolgui.py
elastool/elate.py
elastool/equilibrium_md.py
elastool/extract_mean_values.py
elastool/find_spg.py
elastool/make_conv_cell.py
elastool/material_analysis.py
elastool/optimize_initial_str.py
elastool/plot_christoffel_gnu.py
elastool/plotchristoffel.py
elastool/predict_thickness_2D.py
elastool/read_flags.py
elastool/read_help.py
elastool/read_input.py
elastool/relax_atoms_pos.py
elastool/sound_velocity.py
elastool/stability_criteria.py
elastool/strain_matrix.py
elastool/vasp_run.py
elastool/view_file.py
elastool/write_default_input.py
elastool/write_incar.py
elastool/elastool.egg-info/PKG-INFO
elastool/elastool.egg-info/SOURCES.txt
elastool/elastool.egg-info/dependency_links.txt
elastool/elastool.egg-info/requires.txt
elastool/elastool.egg-info/top_level.txt
examples/1D-SWCNT/INCARs
examples/1D-SWCNT/KPOINTS-static
examples/1D-SWCNT/SWCNT.vasp
examples/1D-SWCNT/elastool.in
examples/1D-SWCNT/pbs.sh
examples/2D-highT/Graphene/INCARs
examples/2D-highT/Graphene/KPOINTS-dynamic
examples/2D-highT/Graphene/KPOINTS-static
examples/2D-highT/Graphene/POSCAR.vasp
examples/2D-highT/Graphene/elastool.in
examples/2D-highT/Graphene/pbs.sh
examples/Al2O3-Trigonal/CONTCAR.vasp
examples/Al2O3-Trigonal/INCARs
examples/Al2O3-Trigonal/KPOINTS-static
examples/Al2O3-Trigonal/elastool.in
examples/Al2O3-Trigonal/pbs.sh
examples/Al2O3-Trigonal/time_used.log
examples/AuSe-2D/1.vasp
examples/AuSe-2D/INCARs
examples/AuSe-2D/KPOINTS-static
examples/AuSe-2D/elastool.in
examples/AuSe-2D/pbs.sh
examples/AuSe-2D/time_used.log
examples/BN_Nanoribbon/EVGK_polar_3D.png
examples/BN_Nanoribbon/EVGK_polar_contour_3D.png
examples/BN_Nanoribbon/EVK_heatmap_3D.png
examples/BN_Nanoribbon/INCARs
examples/BN_Nanoribbon/KPOINTS-static
examples/BN_Nanoribbon/elastic_tensor.dat
examples/BN_Nanoribbon/elastool.in
examples/BN_Nanoribbon/elastool.out
examples/BN_Nanoribbon/groupvelocity_heatmap_3D.png
examples/BN_Nanoribbon/hBN_POSCAR.vasp
examples/BN_Nanoribbon/linear_compressibility.png
examples/BN_Nanoribbon/massdensity_dim.dat
examples/BN_Nanoribbon/orighBN_POSCAR.vasp
examples/BN_Nanoribbon/poisson_ratio_3Dprojection_3D.png
examples/BN_Nanoribbon/poisson_ratio_contour_directional_3D.png
examples/BN_Nanoribbon/shearmodulus_3Dprojection_3D.png
examples/BN_Nanoribbon/strain_energy_density_3D.png
examples/BN_Nanoribbon/strain_energy_density_3Dprojection.png
examples/BN_Nanoribbon/time_used.log
examples/BN_Nanoribbon/youngmodulus_3Dprojection_3D.png
examples/BN_Nanoribbon/OPT/CHG
examples/BN_Nanoribbon/OPT/CHGCAR
examples/BN_Nanoribbon/OPT/CONTCAR
examples/BN_Nanoribbon/OPT/DOSCAR
examples/BN_Nanoribbon/OPT/EIGENVAL
examples/BN_Nanoribbon/OPT/IBZKPT
examples/BN_Nanoribbon/OPT/INCAR
examples/BN_Nanoribbon/OPT/KPOINTS
examples/BN_Nanoribbon/OPT/OSZICAR
examples/BN_Nanoribbon/OPT/OUTCAR
examples/BN_Nanoribbon/OPT/PCDAT
examples/BN_Nanoribbon/OPT/POSCAR
examples/BN_Nanoribbon/OPT/REPORT
examples/BN_Nanoribbon/OPT/WAVECAR
examples/BN_Nanoribbon/OPT/XDATCAR
examples/BN_Nanoribbon/OPT/log.vasp
examples/BN_Nanoribbon/OPT/vasprun.xml
examples/CaMoO4-Tetragonal/CONTCAR.vasp
examples/CaMoO4-Tetragonal/INCARs
examples/CaMoO4-Tetragonal/KPOINTS-static
examples/CaMoO4-Tetragonal/elastool.in
examples/CaMoO4-Tetragonal/pbs.sh
examples/Cu-highT/CONTCAR.vasp
examples/Cu-highT/INCARs
examples/Cu-highT/KPOINTS-dynamic
examples/Cu-highT/KPOINTS-static
examples/Cu-highT/elastool.in
examples/Cu-highT/pbs.sh
examples/GeSe/CONTCAR.vasp
examples/GeSe/EVGK_polar_2D.dat
examples/GeSe/INCAR
examples/GeSe/INCARs
examples/GeSe/KPOINTS-static
examples/GeSe/POSCAR
examples/GeSe/POTCAR
examples/GeSe/elastic_tensor.dat
examples/GeSe/elastool.in
examples/GeSe/elastool.out
examples/GeSe/elastool_check.out
examples/GeSe/log
examples/GeSe/nohup.out
examples/GeSe/time_used.log
examples/GeSe/OPT/INCAR
examples/GeSe/OPT/POSCAR
examples/GeSe/OPT/POTCAR
examples/Graphene/CONTCAR.vasp
examples/Graphene/EVGK_contour_2D.png
examples/Graphene/EVGK_polar_2D.dat
examples/Graphene/EVGK_polar_2D.png
examples/Graphene/EVGK_polar_contour_2D.png
examples/Graphene/EV_ploar_directional_2D.png
examples/Graphene/INCARs
examples/Graphene/KPOINTS-static
examples/Graphene/POSCAR
examples/Graphene/POSCAR.vasp
examples/Graphene/StrainEnergyDensity_2D.png
examples/Graphene/bravais_lattice.png
examples/Graphene/elastic_tensor.dat
examples/Graphene/elastool.in
examples/Graphene/elastool.out
examples/Graphene/elastoolold.out
examples/Graphene/groupvelocity_contour_2D.png
examples/Graphene/massdensity.dat
examples/Graphene/massdensity_dim.dat
examples/Graphene/pbs.sh
examples/Graphene/poisson_ratio_contour_directional_2D.png
examples/Graphene/strain_energy_density_2D.png
examples/Graphene/time_used.log
examples/MoS2-2D/INCARs
examples/MoS2-2D/KPOINTS-static
examples/MoS2-2D/elastool.in
examples/MoS2-2D/monolayer_MoS2_mp-2815_primitive.cif.vasp
examples/MoS2-2D/pbs.sh
examples/Phosphorene/INCARs
examples/Phosphorene/KPOINTS-static
examples/Phosphorene/POSCAR.vasp
examples/Phosphorene/elastool.in
examples/Phosphorene/monolayer_P-Phosphorus-black.cif.vasp
examples/Phosphorene/pbs.sh
examples/SnO-2D/INCARs
examples/SnO-2D/KPOINTS-static
examples/SnO-2D/elastool.in
examples/SnO-2D/monolayer_SnO_mp-2097_primitive.cif.vasp
examples/SnO-2D/pbs.sh
examples/TiB2-Hexagonal/CONTCAR.vasp
examples/TiB2-Hexagonal/INCARs
examples/TiB2-Hexagonal/KPOINTS-static
examples/TiB2-Hexagonal/elastool.in
examples/TiB2-Hexagonal/elastool.out
examples/TiB2-Hexagonal/pbs.sh
examples/TiSi2-orthorhombic/CONTCAR.vasp
examples/TiSi2-orthorhombic/INCARs
examples/TiSi2-orthorhombic/KPOINTS-static
examples/TiSi2-orthorhombic/elastool.in
examples/TiSi2-orthorhombic/pbs.sh
examples/ZrO2-monoclinic/INCARs
examples/ZrO2-monoclinic/KPOINTS-static
examples/ZrO2-monoclinic/ZrO2_mp-2858_primitive.cif
examples/ZrO2-monoclinic/elastool.in
examples/ZrO2-monoclinic/pbs.sh
examples/cBN/EVGK_polar_3D.png
examples/cBN/EVGK_polar_contour_3D.png
examples/cBN/EVK_heatmap_3D.png
examples/cBN/INCARs
examples/cBN/KPOINTS-static
examples/cBN/POSCAR
examples/cBN/PRIMCELL.vasp
examples/cBN/SYMMETRY
examples/cBN/cBN.cif
examples/cBN/elastic_tensor.dat
examples/cBN/elastool.in
examples/cBN/elastool.out
examples/cBN/groupvelocity_heatmap_3D.png
examples/cBN/linear_compressibility.png
examples/cBN/massdensity_dim.dat
examples/cBN/poisson_ratio_3Dprojection_3D.png
examples/cBN/poisson_ratio_contour_directional_3D.png
examples/cBN/shearmodulus_3Dprojection_3D.png
examples/cBN/strain_energy_density_3D.png
examples/cBN/strain_energy_density_3Dprojection.png
examples/cBN/time_used.log
examples/cBN/youngmodulus_3Dprojection_3D.png
examples/cBN/OPT/CHG
examples/cBN/OPT/CHGCAR
examples/cBN/OPT/CONTCAR
examples/cBN/OPT/DOSCAR
examples/cBN/OPT/EIGENVAL
examples/cBN/OPT/IBZKPT
examples/cBN/OPT/INCAR
examples/cBN/OPT/KPOINTS
examples/cBN/OPT/OSZICAR
examples/cBN/OPT/OUTCAR
examples/cBN/OPT/PCDAT
examples/cBN/OPT/POSCAR
examples/cBN/OPT/REPORT
examples/cBN/OPT/WAVECAR
examples/cBN/OPT/XDATCAR
examples/cBN/OPT/log.vasp
examples/cBN/OPT/vasprun.xml
examples/diamond-Cubic/.INCARs.swp
examples/diamond-Cubic/CONTCAR.vasp
examples/diamond-Cubic/EVGK_polar_3D.png
examples/diamond-Cubic/EVGK_polar_contour_3D.png
examples/diamond-Cubic/EVK_heatmap_3D.png
examples/diamond-Cubic/INCARs
examples/diamond-Cubic/KPOINTS-static
examples/diamond-Cubic/POTCAR-C
examples/diamond-Cubic/elastic_tensor.dat
examples/diamond-Cubic/elastool.in
examples/diamond-Cubic/elastool.out
examples/diamond-Cubic/groupvelocity_heatmap_3D.png
examples/diamond-Cubic/linear_compressibility.png
examples/diamond-Cubic/massdensity.dat
examples/diamond-Cubic/massdensity_dim.dat
examples/diamond-Cubic/pbs.sh
examples/diamond-Cubic/poisson_ratio_3Dprojection_3D.png
examples/diamond-Cubic/poisson_ratio_contour_directional_3D.png
examples/diamond-Cubic/poisson_ration_contour_directional_3D.png
examples/diamond-Cubic/shearmodulus_3Dprojection_3D.png
examples/diamond-Cubic/strain_energy_density_3D.png
examples/diamond-Cubic/strain_energy_density_3Dprojection.png
examples/diamond-Cubic/strain_stress_energy.dat
examples/diamond-Cubic/time_used.log
examples/diamond-Cubic/youngmodulus_3Dprojection_3D.png
examples/diamond-Cubic/OPT/CHG
examples/diamond-Cubic/OPT/CHGCAR
examples/diamond-Cubic/OPT/CONTCAR
examples/diamond-Cubic/OPT/DOSCAR
examples/diamond-Cubic/OPT/Diamond.vasp
examples/diamond-Cubic/OPT/EIGENVAL
examples/diamond-Cubic/OPT/IBZKPT
examples/diamond-Cubic/OPT/INCAR
examples/diamond-Cubic/OPT/KPOINTS
examples/diamond-Cubic/OPT/OSZICAR
examples/diamond-Cubic/OPT/OUTCAR
examples/diamond-Cubic/OPT/PCDAT
examples/diamond-Cubic/OPT/POSCAR
examples/diamond-Cubic/OPT/REPORT
examples/diamond-Cubic/OPT/SYMMETRY
examples/diamond-Cubic/OPT/WAVECAR
examples/diamond-Cubic/OPT/XDATCAR
examples/diamond-Cubic/OPT/log.vasp
examples/diamond-Cubic/OPT/vasprun.xml
examples/diamond-Hexagonal/C.cif
examples/diamond-Hexagonal/CONTCAR.vasp
examples/diamond-Hexagonal/EVGK_polar_3D.png
examples/diamond-Hexagonal/EVGK_polar_contour_3D.png
examples/diamond-Hexagonal/EVK_heatmap_3D.png
examples/diamond-Hexagonal/INCARs
examples/diamond-Hexagonal/KPOINTS-static
examples/diamond-Hexagonal/POSCAR
examples/diamond-Hexagonal/SYMMETRY
examples/diamond-Hexagonal/elastic_tensor.dat
examples/diamond-Hexagonal/elastool.in
examples/diamond-Hexagonal/elastool.out
examples/diamond-Hexagonal/groupvelocity_heatmap_3D.png
examples/diamond-Hexagonal/linear_compressibility.png
examples/diamond-Hexagonal/massdensity_dim.dat
examples/diamond-Hexagonal/poisson_ratio_3Dprojection_3D.png
examples/diamond-Hexagonal/poisson_ratio_contour_directional_3D.png
examples/diamond-Hexagonal/poisson_ration_contour_directional_3D.png
examples/diamond-Hexagonal/shearmodulus_3Dprojection_3D.png
examples/diamond-Hexagonal/strain_energy_density_3D.png
examples/diamond-Hexagonal/strain_energy_density_3Dprojection.png
examples/diamond-Hexagonal/time_used.log
examples/diamond-Hexagonal/youngmodulus_3Dprojection_3D.png
examples/diamond-Hexagonal/OPT/CHG
examples/diamond-Hexagonal/OPT/CHGCAR
examples/diamond-Hexagonal/OPT/CONTCAR
examples/diamond-Hexagonal/OPT/DOSCAR
examples/diamond-Hexagonal/OPT/EIGENVAL
examples/diamond-Hexagonal/OPT/IBZKPT
examples/diamond-Hexagonal/OPT/INCAR
examples/diamond-Hexagonal/OPT/KPOINTS
examples/diamond-Hexagonal/OPT/OSZICAR
examples/diamond-Hexagonal/OPT/OUTCAR
examples/diamond-Hexagonal/OPT/PCDAT
examples/diamond-Hexagonal/OPT/POSCAR
examples/diamond-Hexagonal/OPT/REPORT
examples/diamond-Hexagonal/OPT/WAVECAR
examples/diamond-Hexagonal/OPT/XDATCAR
examples/diamond-Hexagonal/OPT/log.vasp
examples/diamond-Hexagonal/OPT/vasprun.xml
examples/hBN/CONTCAR.vasp
examples/hBN/EVGK_polar_3D.png
examples/hBN/EVGK_polar_contour_3D.png
examples/hBN/EVK_heatmap_3D.png
examples/hBN/INCARs
examples/hBN/KPOINTS-static
examples/hBN/POSCAR
examples/hBN/PRIMCELL.vasp
examples/hBN/SYMMETRY
examples/hBN/elastic_tensor.dat
examples/hBN/elastool.in
examples/hBN/elastool.out
examples/hBN/groupvelocity_heatmap_3D.png
examples/hBN/hBN.cif
examples/hBN/linear_compressibility.png
examples/hBN/massdensity_dim.dat
examples/hBN/poisson_ratio_3Dprojection_3D.png
examples/hBN/poisson_ratio_contour_directional_3D.png
examples/hBN/shearmodulus_3Dprojection_3D.png
examples/hBN/strain_energy_density_3D.png
examples/hBN/strain_energy_density_3Dprojection.png
examples/hBN/time_used.log
examples/hBN/youngmodulus_3Dprojection_3D.png
examples/hBN/OPT/CHG
examples/hBN/OPT/CHGCAR
examples/hBN/OPT/CONTCAR
examples/hBN/OPT/DOSCAR
examples/hBN/OPT/EIGENVAL
examples/hBN/OPT/IBZKPT
examples/hBN/OPT/INCAR
examples/hBN/OPT/KPOINTS
examples/hBN/OPT/OSZICAR
examples/hBN/OPT/OUTCAR
examples/hBN/OPT/PCDAT
examples/hBN/OPT/POSCAR
examples/hBN/OPT/REPORT
examples/hBN/OPT/WAVECAR
examples/hBN/OPT/XDATCAR
examples/hBN/OPT/log.vasp
examples/hBN/OPT/vasprun.xml