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    - boltztrap
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      - Fatband_SiO2
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        old
        CHARGE.lobster.NaCl.gz
        CHARGE.lobster.NaSi.gz
        CHARGE.lobster.mp-353.gz
        CHARGE.lobster.mp-632319.gz
        COHPCAR.lobster.NaCl.gz
        COHPCAR.lobster.NaSi.gz
        COHPCAR.lobster.mp-190.gz
        COHPCAR.lobster.mp-190_2.gz
        CONTCAR.NaCl.gz
        CONTCAR.NaSi.gz
        CONTCAR.mp-190.gz
        CONTCAR.mp-353.gz
        CONTCAR.mp-470.gz
        CONTCAR.mp-632319.gz
        CONTCAR.mp-7000.gz
        ICOBILIST.lobster.NaCl.gz
        ICOBILIST.lobster.mp-470.gz
        ICOHPLIST.lobster.NaCl.gz
        ICOHPLIST.lobster.NaSi.gz
        ICOHPLIST.lobster.mp-190.gz
        ICOHPLIST.lobster.mp-353.gz
        ICOHPLIST.lobster.mp-470.gz
        ICOHPLIST.lobster.mp-632319.gz
        ICOHPLIST.lobster.mp-7000.gz
        ICOHPLIST.lobster.mp-7000_2.gz
        ICOHPLIST.lobster.mp_190_2.gz
        ICOOPLIST.lobster.NaCl.gz
        POSCAR.mp-190_2.gz
      - BWDF.lobster.AlN.gz
      - BWDFCOHP.lobster.NaCl.gz
      - CHARGE.LCFO.lobster.ALN.gz
      - CHARGE.lobster.MnO
      - CHARGE.lobster.MnO2.gz
      - COBICAR.lobster.B2H6.spin
      - COBICAR.lobster.B2H6.spin.average.2
      - COBICAR.lobster.GeTe
      - COBICAR.lobster.GeTe.multi.orbitalwise
      - COBICAR.lobster.GeTe.multi.orbitalwise.full
      - COBICAR.lobster.GeTe_4center
      - COBICAR.lobster.gz
      - COHPCAR.LCFO.lobster.NaCl.gz
      - COHPCAR.lobster.BiSe.gz
      - COHPCAR.lobster.KF.gz
      - COHPCAR.lobster.Na2UO4.gz
      - COHPCAR.lobster.gz
      - COHPCAR.lobster.notot.orbitalwise.gz
      - COHPCAR.lobster.orbitalwise.gz
      - COOPCAR.lobster.BiSe.gz
      - COOPCAR.lobster.KF.gz
      - COOPCAR.lobster.Na2UO4.gz
      - COOPCAR.lobster.gz
      - COPL
      - COPL.BiSe
      - CTRL
      - CTRL.BiSe
      - C_transferMatrices.lobster.gz
      - GROSSPOP.LCFO.lobster.AlN.gz
      - GROSSPOP.lobster
      - GROSSPOP_511_nsp.lobster.NaCl.gz
      - GROSSPOP_511_sp.lobster.AlN.gz
      - IBZKPT_2_2_2_Li
      - IBZKPT_3_3_3_Li
      - ICOBILIST.lobster
      - ICOBILIST.lobster.additional_case
      - ICOBILIST.lobster.spinpolarized
      - ICOBILIST.lobster.spinpolarized.additional_case
      - ICOBILIST.lobster.withoutorbitals
      - ICOHPLIST.LCFO.lobster.AlN.gz
      - ICOHPLIST.lobster
      - ICOHPLIST.lobster.BiSe
      - ICOHPLIST.lobster.KF_nospin
      - ICOHPLIST.lobster.back
      - ICOHPLIST.lobster.gz
      - ICOHPLIST_511_nsp.lobster.NaCl.gz
      - ICOHPLIST_511_sp.lobster.AlN.gz
      - ICOHPLIST_non_orbitalwise.LCFO.lobster.AlN.gz
      - ICOOPLIST.lobster
      - ICOOPLIST.lobster.BiSe
      - ICOOPLIST.lobster.KF
      - LCAOWaveFunctionAfterLSO1PlotOfSpin1Kpoint1band1.gz
      - MadelungEnergies.lobster.perovskite
      - Na_hamiltonMatrices.lobster.gz
      - NcICOBILIST.lobster
      - NcICOBILIST.lobster.gz
      - NcICOBILIST.lobster.nospin
      - NcICOBILIST.lobster.nospin.withoutorbitals
      - NcICOBILIST.lobster.withoutorbitals
      - POLARIZATION.lobster.AlN.gz
      - POSCAR
      - POSCAR.B2H6
      - POSCAR.BiSe
      - POSCAR.COBI
      - POSCAR.GaAs
      - POSCAR.GeTe
      - POSCAR.Li
      - POSCAR.Na2UO4
      - POSCAR.SiO2
      - POSCAR.W
      - POSCAR.lobster
      - POSCAR.orbitalwise
      - POSCAR.perovskite
      - POSCAR_O.gz
      - POTCAR.GaAs
      - Si_coefficientMatricesLSO1.lobster.gz
      - Si_overlapMatrices.lobster.gz
      - SitePotentials.lobster.perovskite
      - bandOverlaps.lobster.1
      - bandOverlaps.lobster.2
      - bandOverlaps.lobster.new.1
      - bandOverlaps.lobster.new.2
      - cobi.json
      - cohp.json
      - cohp.str
      - complete_cohp_forb.json
      - complete_cohp_lmto.json
      - complete_cohp_lobster.json
      - complete_cohp_orbitalwise.json
      - complete_coop_lobster.json
      - coop.json
      - coop.str
      - hamiltonMatrices.lobster
      - lobsterin.1
      - lobsterin.2
      - lobsterin.3
      - lobsterin.4.gz
      - lobsterout.GaAs
      - lobsterout.fatband_grosspop_densityofenergy
      - lobsterout.normal
      - lobsterout.normal2.gz
      - lobsterout.onethread
      - lobsterout.saveprojection
      - lobsterout.skip_cobi_madelung
      - lobsterout.skipping_all
      - lobsterout.twospins
      - lobsterout_cobi_madelung
      - lobsterout_doscar_lso
      - lobsterout_from_projection
      - lobsterout_v511.gz
    - dos
    - plotter
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  - .pytest-split-durations
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- util
- vis
- conftest.py
- test_pkg.py
.editorconfig
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.pre-commit-config.yaml
ADMIN.md
CITATION.cff
CONTRIBUTING.md
LICENSE
README.md
SECURITY.md
pdm.lock
pyproject.toml
requirements.txt
setup.py
tasks.py

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