PAWpySeed: Member List

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

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pawpyseed.core.wavefunction.Wavefunction Member List

This is the complete list of members for pawpyseed.core.wavefunction.Wavefunction, including all inherited members.

__init__(self, struct, pwf, cr, outcar) | pawpyseed.core.wavefunction.Wavefunction |
check_c_projectors(self) | pawpyseed.core.wavefunction.Wavefunction |
coords | pawpyseed.core.wavefunction.Wavefunction |
cr | pawpyseed.core.wavefunction.Wavefunction |
defect_band_analysis(self, bulk, num_below_ef=20, num_above_ef=20, spinpol=False) | pawpyseed.core.wavefunction.Wavefunction |
dim | pawpyseed.core.wavefunction.Wavefunction |
free_all(self) | pawpyseed.core.wavefunction.Wavefunction |
from_directory(path) | pawpyseed.core.wavefunction.Wavefunction | static
from_files(struct="CONTCAR", pwf="WAVECAR", cr="POTCAR", vr="vasprun.xml", outcar="OUTCAR") | pawpyseed.core.wavefunction.Wavefunction | static
get_c_projectors_from_pps(self, pps) | pawpyseed.core.wavefunction.Wavefunction |
get_state_realspace(self, b, k, s, dim=None) | pawpyseed.core.wavefunction.Wavefunction |
make_c_projectors(self, basis=None) | pawpyseed.core.wavefunction.Wavefunction |
make_site_lists(self, basis) | pawpyseed.core.wavefunction.Wavefunction |
nband | pawpyseed.core.wavefunction.Wavefunction |
nspin | pawpyseed.core.wavefunction.Wavefunction |
num_proj_els | pawpyseed.core.wavefunction.Wavefunction |
nums | pawpyseed.core.wavefunction.Wavefunction |
nwk | pawpyseed.core.wavefunction.Wavefunction |
projector_list | pawpyseed.core.wavefunction.Wavefunction |
proportion_conduction(self, band_num, bulk, pseudo=False, spinpol=False) | pawpyseed.core.wavefunction.Wavefunction |
pwf | pawpyseed.core.wavefunction.Wavefunction |
setup_multiple_projections(basis_dir, wf_dirs, ignore_errors=False) | pawpyseed.core.wavefunction.Wavefunction | static
setup_projection(self, basis, setup_basis=True) | pawpyseed.core.wavefunction.Wavefunction |
single_band_projection(self, band_num, basis) | pawpyseed.core.wavefunction.Wavefunction |
site_cat | pawpyseed.core.wavefunction.Wavefunction |
structure | pawpyseed.core.wavefunction.Wavefunction |
write_density_realspace(self, filename="PYAECCAR", dim=None, return_wf=False) | pawpyseed.core.wavefunction.Wavefunction |
write_state_realspace(self, b, k, s, fileprefix="", dim=None, return_wf=False) | pawpyseed.core.wavefunction.Wavefunction |