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pre-commit auto-fixes
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pre-commit-ci[bot] committed Jan 3, 2025
1 parent 83b988d commit b866e4f
Showing 1 changed file with 6 additions and 3 deletions.
9 changes: 6 additions & 3 deletions tests/electronic_structure/test_dos.py
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@

from pymatgen.core import Element, Structure
from pymatgen.electronic_structure.core import Orbital, OrbitalType, Spin
from pymatgen.electronic_structure.dos import DOS, CompleteDos, FermiDos, LobsterCompleteDos, Dos
from pymatgen.electronic_structure.dos import DOS, CompleteDos, Dos, FermiDos, LobsterCompleteDos
from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest

TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/dos"
Expand Down Expand Up @@ -112,12 +112,15 @@ def test_get_vbm_cbm_doping(self):
},
efermi=0.8,
)
fermi_dos = FermiDos(dos, structure=self.dos.structure,)
fermi_dos = FermiDos(
dos,
structure=self.dos.structure,
)
assert fermi_dos.get_cbm_vbm() == (1.5, 0.5)
assert np.isclose(
fermi_dos.get_doping(fermi_level=1.0, temperature=300),
-1385561583858093.5, # <0 because e doping; greater DOS in CBM than VBM here, and efermi set to mid-gap
rtol=1e-3
rtol=1e-3,
)


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