.coveragerc
.gitignore
.travis.yml
LICENCE
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/supercell.py
qepy/tools.py
qepy/unfolding.py
qepy/unfoldingyambo.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
tests/.gitignore
tests/install.sh
tests/requirements.txt
tests/test_parser.py
tests/test_si.py
tests/test_tutorial.py
tests/test_yambopy.py
tests/tests.md
tutorial/calculation_tutorial.md
tutorial/databases_qepy_tutorial.md
tutorial/databases_yambopy_tutorial.md
tutorial/double-grid_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/gw-bands/plot-qp.py
tutorial/databases_qepy/iron-metal/Fe.rel-pbe-n-nc.UPF
tutorial/databases_qepy/iron-metal/flow-iron.py
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/elph_plot.py
tutorial/databases_yambopy/exc_abs_plot.py
tutorial/databases_yambopy/exc_kspace_plot.py
tutorial/databases_yambopy/exc_read.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/nonlinear/linear_reponse_analysis_nl.py
tutorial/nonlinear/nl_harmonic_analysis.py
tutorial/real-time/clean.sh
tutorial/real-time/gs_bn.py
tutorial/real-time/optimize_time_step.py
tutorial/real-time/prepare_rt.py
tutorial/real-time/TD_inputs/td_ip.in
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tutorial/real-time/pseudos/B.pbe-mt_fhi.UPF
tutorial/real-time/pseudos/N.pbe-mt_fhi.UPF
tutorial/run_calculations/.gitignore
tutorial/run_calculations/bse_bn.py
tutorial/run_calculations/bse_conv_bn.py
tutorial/run_calculations/bse_cutoff_bn.py
tutorial/run_calculations/clean.sh
tutorial/run_calculations/gs_bn.py
tutorial/run_calculations/gw_bn.py
tutorial/run_calculations/gw_bse_bn.py
tutorial/run_calculations/gw_conv_bn.py
tutorial/run_calculations/ip_bn.py
tutorial/run_calculations/plot-bse-conv.py
tutorial/run_calculations/plot-bse.py
tutorial/run_calculations/plot-excitondb.py
tutorial/run_calculations/plot-gw-conv.py
tutorial/run_calculations/plot-qp.py
tutorial/run_calculations/run-scheduler.py
tutorial/run_calculations/pseudos/B.pbe-mt_fhi.UPF
tutorial/run_calculations/pseudos/N.pbe-mt_fhi.UPF
tutorial/supercell/Q.modes
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