.coveragerc
.gitignore
.travis.yml
AUTHORS.md
LICENCE
LICENCE_old
README.md
pyproject.toml
pytest.ini
docs/logos/yambopy_square.png
docs/logos/yambopy_text.png
qepy/__init__.py
qepy/auxiliary.py
qepy/bravais.py
qepy/dynmat.py
qepy/lattice.py
qepy/matdyn.py
qepy/ph.py
qepy/pp.py
qepy/projwfc.py
qepy/projwfcxml.py
qepy/pseudo.py
qepy/pw.py
qepy/pwxml.py
qepy/spin_texture.py
qepy/supercell.py
qepy/tools.py
qepy/unfolding.py
qepy/units.py
qepy/xml.py
qepy/data/__init__.py
qepy/data/pseudos/B.pbe-mt_fhi.UPF
qepy/data/pseudos/Mo.pz-mt_fhi.UPF
qepy/data/pseudos/N.pbe-mt_fhi.UPF
qepy/data/pseudos/S.pz-mt_fhi.UPF
qepy/data/pseudos/Si.pbe-mt_fhi.UPF
qepy/data/pseudos/__init__.py
qepy/tests/__init__.py
qepy/tests/test_pw.py
qepy/upf_interface/__init__.py
qepy/upf_interface/ppupf.py
schedulerpy/__init__.py
schedulerpy/bash.py
schedulerpy/oar.py
schedulerpy/pbs.py
schedulerpy/scheduler.py
schedulerpy/slurm.py
schedulerpy/tests/test_scheduler.py
tutorial/calculation_tutorial.md
tutorial/databases_qepy_tutorial.md
tutorial/databases_yambopy_tutorial.md
tutorial/double-grid_tutorial.md
tutorial/electron_phonon_tutorial.md
tutorial/real-time_tutorial.md
tutorial/supercell_tutorial.md
tutorial/databases_qepy/bn-semiconductor/plot-qe-bands.py
tutorial/databases_qepy/bn-semiconductor/plot-qe-orbitals.py
tutorial/databases_qepy/bn-semiconductor/plot-qe-spin_texture.py
tutorial/databases_qepy/bn-semiconductor/plot-unfolding.py
tutorial/databases_qepy/gw-bands/plot-qp.py
tutorial/databases_qepy/iron-metal/Fe.rel-pbe-n-nc.UPF
tutorial/databases_qepy/iron-metal/plot-qe-bands.py
tutorial/databases_qepy/iron-metal/plot-qe-orbitals-colormap.py
tutorial/databases_qepy/iron-metal/plot-qe-orbitals-size.py
tutorial/databases_yambopy/bz_plot.py
tutorial/databases_yambopy/dipoles_plot.py
tutorial/databases_yambopy/exc_abs_plot.py
tutorial/databases_yambopy/exc_kspace_plot.py
tutorial/databases_yambopy/exc_read.py
tutorial/databases_yambopy/exc_real_wf.py
tutorial/databases_yambopy/total_crystal_angular_momentum_exciton.py
tutorial/double-grid/clean.sh
tutorial/double-grid/dg_test.py
tutorial/double-grid/input_data/pseudos/B.pbe-mt_fhi.UPF
tutorial/double-grid/input_data/pseudos/N.pbe-mt_fhi.UPF
tutorial/electron_phonon/elph_plot.py
tutorial/electron_phonon/databases/dvscf/mos2.dvscf
tutorial/electron_phonon/databases/scf/mos2.scf
tutorial/electrons/dos.py
tutorial/electrons/jdos.py
tutorial/exciton-phonon/analyse_excph.py
tutorial/exciton-phonon/analyse_excph_yambo_ph.py
tutorial/exciton-phonon/calculate_excph.py
tutorial/exciton-phonon/luminescence.py
tutorial/exciton-phonon/1L_MoS2/Mo_ONCV_PBE_FR-1.0.upf
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tutorial/nonlinear/nl_harmonic_analysis.py
tutorial/radiative_lifetimes/radiative_lifetimes.py
tutorial/real-time/clean.sh
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tutorial/real-time/optimize_time_step.py
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tutorial/run_calculations/.gitignore
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tutorial/run_calculations/bse_conv_bn.py
tutorial/run_calculations/bse_cutoff_bn.py
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yambopy/nl/linear_optics.py
yambopy/nl/nl_analysis.py
yambopy/nl/pulse_analysis.py
yambopy/nl/sin_analysis.py
yambopy/nl/sum_frequencies.py_old
yambopy/plot/__init__.py
yambopy/plot/bandstructure.py
yambopy/plot/plotting.py
yambopy/plot/spectra.py
yambopy/quasiparticles/QP_rotate.py
yambopy/rt/__init__.py
yambopy/rt/rt_movie.py
yambopy/rt/rt_timestep_optimize.py
yambopy/symmetries/__init__.py
yambopy/symmetries/crystal_symmetries.py
yambopy/symmetries/point_group_ops.py
yambopy/tests/__init__.py
yambopy/tests/test_yamboanalyse.py
yambopy/tools/__init__.py
yambopy/tools/citations.py
yambopy/tools/degeneracy_finder.py
yambopy/tools/duck.py
yambopy/tools/funcs.py
yambopy/tools/function_profiler.py
yambopy/tools/jsonencoder.py
yambopy/tools/skw.py
yambopy/tools/string.py
yambopy/tools/types.py