PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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
coordspawpyseed.core.wavefunction.Wavefunction
crpawpyseed.core.wavefunction.Wavefunction
defect_band_analysis(self, bulk, num_below_ef=20, num_above_ef=20, spinpol=False)pawpyseed.core.wavefunction.Wavefunction
dimpawpyseed.core.wavefunction.Wavefunction
free_all(self)pawpyseed.core.wavefunction.Wavefunction
from_directory(path)pawpyseed.core.wavefunction.Wavefunctionstatic
from_files(struct="CONTCAR", pwf="WAVECAR", cr="POTCAR", vr="vasprun.xml", outcar="OUTCAR")pawpyseed.core.wavefunction.Wavefunctionstatic
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
nbandpawpyseed.core.wavefunction.Wavefunction
nspinpawpyseed.core.wavefunction.Wavefunction
num_proj_elspawpyseed.core.wavefunction.Wavefunction
numspawpyseed.core.wavefunction.Wavefunction
nwkpawpyseed.core.wavefunction.Wavefunction
projector_listpawpyseed.core.wavefunction.Wavefunction
proportion_conduction(self, band_num, bulk, pseudo=False, spinpol=False)pawpyseed.core.wavefunction.Wavefunction
pwfpawpyseed.core.wavefunction.Wavefunction
setup_multiple_projections(basis_dir, wf_dirs, ignore_errors=False)pawpyseed.core.wavefunction.Wavefunctionstatic
setup_projection(self, basis, setup_basis=True)pawpyseed.core.wavefunction.Wavefunction
single_band_projection(self, band_num, basis)pawpyseed.core.wavefunction.Wavefunction
site_catpawpyseed.core.wavefunction.Wavefunction
structurepawpyseed.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