LICENSE
MANIFEST.in
README.rst
pyproject.toml
src/koopmans/__init__.py
src/koopmans/bands.py
src/koopmans/cell.py
src/koopmans/commands.py
src/koopmans/kpoints.py
src/koopmans/mpl_config.py
src/koopmans/projections.py
src/koopmans/pseudopotentials.py
src/koopmans/qei_to_json.py
src/koopmans/references.bib
src/koopmans/references.py
src/koopmans.egg-info/PKG-INFO
src/koopmans.egg-info/SOURCES.txt
src/koopmans.egg-info/dependency_links.txt
src/koopmans.egg-info/entry_points.txt
src/koopmans.egg-info/requires.txt
src/koopmans.egg-info/top_level.txt
src/koopmans/calculators/__init__.py
src/koopmans/calculators/_environ.py
src/koopmans/calculators/_koopmans_cp.py
src/koopmans/calculators/_koopmans_ham.py
src/koopmans/calculators/_koopmans_screen.py
src/koopmans/calculators/_ph.py
src/koopmans/calculators/_projwfc.py
src/koopmans/calculators/_pw.py
src/koopmans/calculators/_pw2wannier.py
src/koopmans/calculators/_utils.py
src/koopmans/calculators/_wann2kc.py
src/koopmans/calculators/_wann2kcp.py
src/koopmans/calculators/_wannier90.py
src/koopmans/calculators/_ui/__init__.py
src/koopmans/calculators/_ui/_atoms.py
src/koopmans/calculators/_ui/_calculator.py
src/koopmans/calculators/_ui/_utils.py
src/koopmans/cli/__init__.py
src/koopmans/cli/main.py
src/koopmans/io/__init__.py
src/koopmans/io/_calculators.py
src/koopmans/io/_generic.py
src/koopmans/io/_json.py
src/koopmans/io/_kwf.py
src/koopmans/ml/__init__.py
src/koopmans/ml/_basis_functions.py
src/koopmans/ml/_compute_decomposition.py
src/koopmans/ml/_compute_power.py
src/koopmans/ml/_misc.py
src/koopmans/ml/_ml_models.py
src/koopmans/ml/_plotting_routines.py
src/koopmans/ml/_precompute_parameters_of_basis.py
src/koopmans/pseudopotentials/generate_wfc_psps.py
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ag.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Al.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ar.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/As.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Au.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/B.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ba.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Be.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Bi.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Br.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/C.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ca.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Cd.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Cl.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Co.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Cr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Cs.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Cu.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/F.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Fe.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ga.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ge.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/H.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/He.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Hf.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Hg.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/I.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/In.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ir.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/K.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Kr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Li.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Mg.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Mn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Mo.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/N.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Na.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Nb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ne.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ni.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/O.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Os.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/P.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Pb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Pd.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Po.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Pt.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Rb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Re.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Rh.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Rn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ru.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/S.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Sb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Sc.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Se.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Si.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Sn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Sr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ta.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Tc.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Te.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Ti.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Tl.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/V.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/W.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Xe.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Y.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Zn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/lda/Zr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ag.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Al.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ar.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/As.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Au.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/B.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ba.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Be.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Bi.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Br.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/C.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ca.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Cd.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Cl.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Co.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Cr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Cs.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Cu.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/F.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Fe.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ga.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ge.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/H.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/He.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Hf.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Hg.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/I.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/In.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ir.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/K.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Kr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/La.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Li.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Lu.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Mg.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Mn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Mo.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/N.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Na.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Nb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ne.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ni.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/O.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Os.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/P.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Pb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Pd.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Po.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Pt.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Rb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Re.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Rh.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Rn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ru.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/S.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Sb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Sc.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Se.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Si.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Sn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Sr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ta.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Tc.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Te.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Ti.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Tl.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/V.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/W.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Xe.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Y.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Zn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbe/Zr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ag.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Al.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ar.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/As.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Au.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/B.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ba.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Be.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Bi.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Br.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/C.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ca.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Cd.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Cl.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Co.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Cr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Cs.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Cu.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/F.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Fe.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ga.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ge.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/H.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/He.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Hf.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Hg.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/I.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/In.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ir.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/K.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Kr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/La.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Li.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Lu.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Mg.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Mn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Mo.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/N.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Na.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Nb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ne.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ni.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/O.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Os.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/P.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Pb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Pd.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Po.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Pt.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Rb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Re.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Rh.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Rn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ru.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/S.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Sb.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Sc.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Se.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Si.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Sn.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Sr.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ta.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Tc.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Te.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Ti.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Tl.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/V.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/W.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Xe.upf
src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Y.upf
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src/koopmans/pseudopotentials/pseudo_dojo_standard_v0.4.1/pbesol/Zr.upf
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src/koopmans/settings/_wann2kc.py
src/koopmans/settings/_wann2kcp.py
src/koopmans/settings/_wannier90.py
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src/koopmans/utils/__init__.py
src/koopmans/utils/_figures.py
src/koopmans/utils/_io.py
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src/koopmans/utils/_units.py
src/koopmans/utils/_warnings.py
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src/koopmans/workflows/_anion_dscf.py
src/koopmans/workflows/_convergence.py
src/koopmans/workflows/_convergence_ml.py
src/koopmans/workflows/_dft.py
src/koopmans/workflows/_folding.py
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src/koopmans/workflows/_koopmans_dscf.py
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src/koopmans/workflows/_singlepoint.py
src/koopmans/workflows/_trajectory.py
src/koopmans/workflows/_unfold_and_interp.py
src/koopmans/workflows/_wannierize.py
src/koopmans/workflows/_workflow.py