PAWpySeed Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

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pawpyseed.analysis.defect_composition.BulkCharacter Member List

This is the complete list of members for pawpyseed.analysis.defect_composition.BulkCharacter, including all inherited members.

__init__(self, structure, data, energy_levels=None, dos=None, vbm=None, cbm=None, metadata=None) | pawpyseed.analysis.defect_composition.BulkCharacter |
pawpyseed::analysis::defect_composition::PawpyData.__init__(self, structure, data, dos=None, vbm=None, cbm=None) | pawpyseed.analysis.defect_composition.PawpyData |
as_dict(self) | pawpyseed.analysis.defect_composition.BulkCharacter |
bandgap | pawpyseed.analysis.defect_composition.PawpyData |
cbm | pawpyseed.analysis.defect_composition.PawpyData |
data | pawpyseed.analysis.defect_composition.PawpyData |
densities | pawpyseed.analysis.defect_composition.PawpyData |
efermi | pawpyseed.analysis.defect_composition.PawpyData |
energies | pawpyseed.analysis.defect_composition.PawpyData |
energy_levels | pawpyseed.analysis.defect_composition.BulkCharacter |
from_dict(cls, data) | pawpyseed.analysis.defect_composition.BulkCharacter |
from_yaml(cls, filename) | pawpyseed.analysis.defect_composition.PawpyData |
kws | pawpyseed.analysis.defect_composition.BulkCharacter |
makeit(generator) | pawpyseed.analysis.defect_composition.BulkCharacter | static
metadata | pawpyseed.analysis.defect_composition.BulkCharacter |
nspin | pawpyseed.analysis.defect_composition.BulkCharacter |
plot(self, name, title=None, spinpol=False) | pawpyseed.analysis.defect_composition.BulkCharacter |
set_band_properties(vbm, cbm) | pawpyseed.analysis.defect_composition.PawpyData |
structure | pawpyseed.analysis.defect_composition.PawpyData |
vbm | pawpyseed.analysis.defect_composition.PawpyData |
write_yaml(self, filename) | pawpyseed.analysis.defect_composition.PawpyData |