PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
pawpyseed.core.noncollinear.NCLWavefunction Member List

This is the complete list of members for pawpyseed.core.noncollinear.NCLWavefunction, including all inherited members.

__init__(self, struct, pwf, cr, dim, symprec=1e-4, setup_projectors=False)pawpyseed.core.noncollinear.NCLWavefunction
band_propspawpyseed.core.noncollinear.NCLWavefunction
check_c_projectors(self)pawpyseed.core.wavefunction.Wavefunction
crpawpyseed.core.noncollinear.NCLWavefunction
desymmetrized_copy(self, allkpts=None, weights=None)pawpyseed.core.noncollinear.NCLWavefunction
dimpawpyseed.core.noncollinear.NCLWavefunction
from_atomate_directory(path, setup_projectors=False)pawpyseed.core.wavefunction.Wavefunctionstatic
from_directory(path, setup_projectors=False)pawpyseed.core.noncollinear.NCLWavefunctionstatic
from_files(struct="CONTCAR", wavecar="WAVECAR", cr="POTCAR", vr="vasprun.xml", setup_projectors=False)pawpyseed.core.noncollinear.NCLWavefunctionstatic
get_kpt_mapping(self, allkpts, symprec=None, gen_trsym=True)pawpyseed.core.wavefunction.Wavefunction
get_nosym_kpoints(self, init_kpts=None, symprec=None, gen_trsym=True, fil_trsym=True)pawpyseed.core.wavefunction.Wavefunction
get_realspace_density(self, dim=None, bands=None)pawpyseed.core.wavefunction.Wavefunction
get_state_realspace(self, b, k, s, dim=None, remove_phase=False)pawpyseed.core.wavefunction.Wavefunction
num_elemspawpyseed.core.wavefunction.Wavefunction
num_sitespawpyseed.core.wavefunction.Wavefunction
structurepawpyseed.core.noncollinear.NCLWavefunction
symprecpawpyseed.core.wavefunction.Wavefunction
update_dim(self, dim)pawpyseed.core.wavefunction.Wavefunction
write_density_realspace(self, filename="PYAECCAR", dim=None, scale=1)pawpyseed.core.noncollinear.NCLWavefunction
pawpyseed::core::wavefunction::Wavefunction.write_density_realspace(self, filename="PYAECCAR", dim=None, scale=1, bands=None)pawpyseed.core.wavefunction.Wavefunction
write_state_realspace(self, b, k, s, fileprefix="", dim=None, scale=1)pawpyseed.core.noncollinear.NCLWavefunction
pawpyseed::core::wavefunction::Wavefunction.write_state_realspace(self, b, k, s, fileprefix="", dim=None, scale=1, remove_phase=False)pawpyseed.core.wavefunction.Wavefunction