LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
setup.py
aiida_sssp_workflow/__init__.py
aiida_sssp_workflow/efermi.py
aiida_sssp_workflow/utils.py
aiida_sssp_workflow/version.py
aiida_sssp_workflow.egg-info/PKG-INFO
aiida_sssp_workflow.egg-info/SOURCES.txt
aiida_sssp_workflow.egg-info/dependency_links.txt
aiida_sssp_workflow.egg-info/entry_points.txt
aiida_sssp_workflow.egg-info/requires.txt
aiida_sssp_workflow.egg-info/top_level.txt
aiida_sssp_workflow/calculations/__init__.py
aiida_sssp_workflow/calculations/birch_murnaghan_fit.py
aiida_sssp_workflow/calculations/calculate_bands_distance.py
aiida_sssp_workflow/calculations/calculate_metric.py
aiida_sssp_workflow/calculations/wien2k_ref.py
aiida_sssp_workflow/cli/__init__.py
aiida_sssp_workflow/cli/extract.py
aiida_sssp_workflow/cli/run.py
aiida_sssp_workflow/cli/tools/__init__.py
aiida_sssp_workflow/cli/tools/dump.py
aiida_sssp_workflow/cli/tools/relabel.py
aiida_sssp_workflow/protocol/__init__.py
aiida_sssp_workflow/protocol/bands.yml
aiida_sssp_workflow/protocol/control.yml
aiida_sssp_workflow/protocol/converge.yml
aiida_sssp_workflow/protocol/criteria.yml
aiida_sssp_workflow/protocol/precision.yml
aiida_sssp_workflow/statics/__init__.py
aiida_sssp_workflow/statics/AE_EOS/AE-average-oxides.json
aiida_sssp_workflow/statics/AE_EOS/AE-average-unaries.json
aiida_sssp_workflow/statics/AE_EOS/WIEN2K_GS.json
aiida_sssp_workflow/statics/AE_EOS/WIEN2K_LANN.json
aiida_sssp_workflow/statics/AE_EOS/__init__.py
aiida_sssp_workflow/statics/structures/__init__.py
aiida_sssp_workflow/statics/structures/mapping.json
aiida_sssp_workflow/statics/structures/gs/Ag.cif
aiida_sssp_workflow/statics/structures/gs/Al.cif
aiida_sssp_workflow/statics/structures/gs/Ar.cif
aiida_sssp_workflow/statics/structures/gs/As.cif
aiida_sssp_workflow/statics/structures/gs/Au.cif
aiida_sssp_workflow/statics/structures/gs/B.cif
aiida_sssp_workflow/statics/structures/gs/Ba.cif
aiida_sssp_workflow/statics/structures/gs/Be.cif
aiida_sssp_workflow/statics/structures/gs/Bi.cif
aiida_sssp_workflow/statics/structures/gs/Br.cif
aiida_sssp_workflow/statics/structures/gs/C.cif
aiida_sssp_workflow/statics/structures/gs/Ca.cif
aiida_sssp_workflow/statics/structures/gs/Cd.cif
aiida_sssp_workflow/statics/structures/gs/CeN.cif
aiida_sssp_workflow/statics/structures/gs/Cl.cif
aiida_sssp_workflow/statics/structures/gs/Co.cif
aiida_sssp_workflow/statics/structures/gs/Cr.cif
aiida_sssp_workflow/statics/structures/gs/Cs.cif
aiida_sssp_workflow/statics/structures/gs/Cu.cif
aiida_sssp_workflow/statics/structures/gs/DyN.cif
aiida_sssp_workflow/statics/structures/gs/ErN.cif
aiida_sssp_workflow/statics/structures/gs/EuN.cif
aiida_sssp_workflow/statics/structures/gs/F.cif
aiida_sssp_workflow/statics/structures/gs/Fe.cif
aiida_sssp_workflow/statics/structures/gs/Ga.cif
aiida_sssp_workflow/statics/structures/gs/GdN.cif
aiida_sssp_workflow/statics/structures/gs/Ge.cif
aiida_sssp_workflow/statics/structures/gs/H.cif
aiida_sssp_workflow/statics/structures/gs/He.cif
aiida_sssp_workflow/statics/structures/gs/Hf.cif
aiida_sssp_workflow/statics/structures/gs/Hg.cif
aiida_sssp_workflow/statics/structures/gs/HoN.cif
aiida_sssp_workflow/statics/structures/gs/I.cif
aiida_sssp_workflow/statics/structures/gs/In.cif
aiida_sssp_workflow/statics/structures/gs/Ir.cif
aiida_sssp_workflow/statics/structures/gs/K.cif
aiida_sssp_workflow/statics/structures/gs/Kr.cif
aiida_sssp_workflow/statics/structures/gs/LaN.cif
aiida_sssp_workflow/statics/structures/gs/Li.cif
aiida_sssp_workflow/statics/structures/gs/Lu.cif
aiida_sssp_workflow/statics/structures/gs/LuN.cif
aiida_sssp_workflow/statics/structures/gs/Mg.cif
aiida_sssp_workflow/statics/structures/gs/Mn.cif
aiida_sssp_workflow/statics/structures/gs/Mo.cif
aiida_sssp_workflow/statics/structures/gs/N.cif
aiida_sssp_workflow/statics/structures/gs/Na.cif
aiida_sssp_workflow/statics/structures/gs/Nb.cif
aiida_sssp_workflow/statics/structures/gs/NdN.cif
aiida_sssp_workflow/statics/structures/gs/Ne.cif
aiida_sssp_workflow/statics/structures/gs/Ni.cif
aiida_sssp_workflow/statics/structures/gs/O.cif
aiida_sssp_workflow/statics/structures/gs/Os.cif
aiida_sssp_workflow/statics/structures/gs/P.cif
aiida_sssp_workflow/statics/structures/gs/Pb.cif
aiida_sssp_workflow/statics/structures/gs/Pd.cif
aiida_sssp_workflow/statics/structures/gs/PmN.cif
aiida_sssp_workflow/statics/structures/gs/Po.cif
aiida_sssp_workflow/statics/structures/gs/PrN.cif
aiida_sssp_workflow/statics/structures/gs/Pt.cif
aiida_sssp_workflow/statics/structures/gs/Rb.cif
aiida_sssp_workflow/statics/structures/gs/Re.cif
aiida_sssp_workflow/statics/structures/gs/Rh.cif
aiida_sssp_workflow/statics/structures/gs/Rn.cif
aiida_sssp_workflow/statics/structures/gs/Ru.cif
aiida_sssp_workflow/statics/structures/gs/S.cif
aiida_sssp_workflow/statics/structures/gs/Sb.cif
aiida_sssp_workflow/statics/structures/gs/Sc.cif
aiida_sssp_workflow/statics/structures/gs/Se.cif
aiida_sssp_workflow/statics/structures/gs/Si.cif
aiida_sssp_workflow/statics/structures/gs/SiF4.cif
aiida_sssp_workflow/statics/structures/gs/SmN.cif
aiida_sssp_workflow/statics/structures/gs/Sn.cif
aiida_sssp_workflow/statics/structures/gs/Sr.cif
aiida_sssp_workflow/statics/structures/gs/Ta.cif
aiida_sssp_workflow/statics/structures/gs/TbN.cif
aiida_sssp_workflow/statics/structures/gs/Tc.cif
aiida_sssp_workflow/statics/structures/gs/Te.cif
aiida_sssp_workflow/statics/structures/gs/Ti.cif
aiida_sssp_workflow/statics/structures/gs/Tl.cif
aiida_sssp_workflow/statics/structures/gs/TmN.cif
aiida_sssp_workflow/statics/structures/gs/V.cif
aiida_sssp_workflow/statics/structures/gs/W.cif
aiida_sssp_workflow/statics/structures/gs/Xe.cif
aiida_sssp_workflow/statics/structures/gs/Y.cif
aiida_sssp_workflow/statics/structures/gs/YbN.cif
aiida_sssp_workflow/statics/structures/gs/Zn.cif
aiida_sssp_workflow/statics/structures/gs/Zr.cif
aiida_sssp_workflow/statics/structures/gs/__init__.py
aiida_sssp_workflow/statics/structures/oxides/Ac-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ac-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ac-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ac-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ac-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ac-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ag-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ag-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ag-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ag-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ag-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ag-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Al-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Al-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Al-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Al-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Al-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Al-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Am-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Am-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Am-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Am-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Am-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Am-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ar-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ar-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ar-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ar-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ar-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ar-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/As-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/As-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/As-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/As-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/As-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/As-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/At-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/At-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/At-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/At-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/At-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/At-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Au-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Au-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Au-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Au-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Au-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Au-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/B-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/B-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/B-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/B-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/B-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/B-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ba-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ba-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ba-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ba-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ba-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ba-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Be-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Be-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Be-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Be-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Be-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Be-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Bi-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Bi-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Bi-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Bi-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Bi-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Bi-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Br-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Br-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Br-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Br-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Br-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Br-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/C-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/C-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/C-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/C-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/C-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/C-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ca-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ca-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ca-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ca-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ca-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ca-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cd-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Cd-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cd-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Cd-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Cd-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Cd-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ce-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ce-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ce-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ce-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ce-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ce-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cl-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Cl-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cl-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Cl-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Cl-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Cl-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cm-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Cm-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cm-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Cm-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Cm-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Cm-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Co-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Co-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Co-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Co-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Co-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Co-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cr-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Cr-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cr-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Cr-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Cr-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Cr-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cs-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Cs-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cs-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Cs-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Cs-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Cs-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cu-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Cu-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Cu-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Cu-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Cu-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Cu-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Dy-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Dy-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Dy-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Dy-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Dy-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Dy-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Er-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Er-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Er-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Er-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Er-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Er-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Eu-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Eu-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Eu-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Eu-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Eu-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Eu-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/F-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/F-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/F-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/F-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/F-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/F-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Fe-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Fe-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Fe-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Fe-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Fe-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Fe-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Fr-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Fr-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Fr-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Fr-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Fr-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Fr-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ga-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ga-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ga-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ga-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ga-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ga-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Gd-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Gd-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Gd-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Gd-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Gd-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Gd-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ge-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/Ge-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/Ge-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/Ge-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/Ge-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/Ge-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/H-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/H-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/H-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/H-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/H-XO2.xsf
aiida_sssp_workflow/statics/structures/oxides/H-XO3.xsf
aiida_sssp_workflow/statics/structures/oxides/He-X2O.xsf
aiida_sssp_workflow/statics/structures/oxides/He-X2O3.xsf
aiida_sssp_workflow/statics/structures/oxides/He-X2O5.xsf
aiida_sssp_workflow/statics/structures/oxides/He-XO.xsf
aiida_sssp_workflow/statics/structures/oxides/He-XO2.xsf
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aiida_sssp_workflow/statics/structures/unaries/Pa-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pa-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pb-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pb-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Pb-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pb-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pd-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pd-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Pd-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pd-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pm-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pm-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Pm-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pm-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Po-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Po-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Po-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Po-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pr-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pr-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Pr-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pr-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pt-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pt-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Pt-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pt-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pu-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pu-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Pu-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Pu-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ra-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ra-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Ra-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ra-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rb-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rb-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Rb-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rb-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Re-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Re-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Re-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Re-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rh-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rh-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Rh-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rh-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rn-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rn-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Rn-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Rn-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ru-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ru-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Ru-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ru-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/S-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/S-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/S-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/S-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sb-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sb-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Sb-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sb-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sc-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sc-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Sc-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sc-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Se-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Se-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Se-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Se-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Si-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Si-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Si-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Si-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sm-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sm-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Sm-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sm-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sn-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sn-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Sn-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sn-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sr-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sr-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Sr-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Sr-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ta-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ta-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Ta-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ta-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tb-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tb-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Tb-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tb-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tc-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tc-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Tc-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tc-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Te-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Te-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Te-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Te-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Th-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Th-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Th-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Th-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ti-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ti-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Ti-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Ti-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tl-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tl-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Tl-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tl-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tm-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tm-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Tm-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Tm-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/U-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/U-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/U-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/U-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/V-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/V-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/V-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/V-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/W-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/W-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/W-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/W-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Xe-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Xe-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Xe-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Xe-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Y-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Y-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Y-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Y-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Yb-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Yb-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Yb-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Yb-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Zn-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Zn-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Zn-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Zn-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/Zr-BCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Zr-Diamond.xsf
aiida_sssp_workflow/statics/structures/unaries/Zr-FCC.xsf
aiida_sssp_workflow/statics/structures/unaries/Zr-SC.xsf
aiida_sssp_workflow/statics/structures/unaries/__init__.py
aiida_sssp_workflow/statics/upf/N.us.z_5.ld1.theose.v0.upf
aiida_sssp_workflow/statics/upf/O.paw.z_6.ld1.psl.v0.1.upf
aiida_sssp_workflow/statics/upf/__init__.py
aiida_sssp_workflow/workflows/__init__.py
aiida_sssp_workflow/workflows/common.py
aiida_sssp_workflow/workflows/verifications.py
aiida_sssp_workflow/workflows/convergence/__init__.py
aiida_sssp_workflow/workflows/convergence/_base.py
aiida_sssp_workflow/workflows/convergence/bands.py
aiida_sssp_workflow/workflows/convergence/caching.py
aiida_sssp_workflow/workflows/convergence/cohesive_energy.py
aiida_sssp_workflow/workflows/convergence/delta.py
aiida_sssp_workflow/workflows/convergence/phonon_frequencies.py
aiida_sssp_workflow/workflows/convergence/pressure.py
aiida_sssp_workflow/workflows/evaluate/__init__.py
aiida_sssp_workflow/workflows/evaluate/_bands.py
aiida_sssp_workflow/workflows/evaluate/_caching_wise_bands.py
aiida_sssp_workflow/workflows/evaluate/_cohesive_energy.py
aiida_sssp_workflow/workflows/evaluate/_eos.py
aiida_sssp_workflow/workflows/evaluate/_metric.py
aiida_sssp_workflow/workflows/evaluate/_phonon_frequencies.py
aiida_sssp_workflow/workflows/evaluate/_pressure.py
aiida_sssp_workflow/workflows/measure/__init__.py
aiida_sssp_workflow/workflows/measure/bands.py
aiida_sssp_workflow/workflows/measure/precision.py
efermi/__init__.py
pseudo_parser/__init__.py
pseudo_parser/upf_parser/__init__.py
tests/test_utils.py