| __init__(self, wf, basis, unsym_basis=False, unsym_wf=False, pseudo=False) | pawpyseed.core.projector.Projector | |
| basis | pawpyseed.core.projector.Projector | |
| check_c_projectors(self) | pawpyseed.core.wavefunction.Wavefunction | |
| coords | pawpyseed.core.projector.Projector | |
| cr | pawpyseed.core.projector.Projector | |
| defect_band_analysis(self, num_below_ef=20, num_above_ef=20, spinpol=False, return_energies=False, return_energy_list=False, vbmband=None) | pawpyseed.core.projector.Projector | |
| dim | pawpyseed.core.projector.Projector | |
| encut | pawpyseed.core.projector.Projector | |
| free_all(self) | pawpyseed.core.projector.Projector | |
| freed | pawpyseed.core.projector.Projector | |
| from_atomate_directory(path, setup_projectors=False) | pawpyseed.core.wavefunction.Wavefunction | static |
| from_directory(basis, path, unsym_basis=False, unsym_wf=False, pseudo=False) | pawpyseed.core.projector.Projector | static |
| pawpyseed::core::wavefunction::Wavefunction.from_directory(path, setup_projectors=False) | pawpyseed.core.wavefunction.Wavefunction | static |
| from_files(basis, struct="CONTCAR", pwf="WAVECAR", cr="POTCAR", vr="vasprun.xml", outcar="OUTCAR", unsym_basis=False, unsym_wf=False, pseudo=False) | pawpyseed.core.projector.Projector | static |
| pawpyseed::core::wavefunction::Wavefunction.from_files(struct="CONTCAR", pwf="WAVECAR", cr="POTCAR", vr="vasprun.xml", outcar="OUTCAR", setup_projectors=False) | pawpyseed.core.wavefunction.Wavefunction | static |
| get_c_projectors_from_pps(self, pps) | pawpyseed.core.wavefunction.Wavefunction | |
| get_kpt_mapping(self, allkpts, symprec=1e-5, gen_trsym=True) | pawpyseed.core.wavefunction.Wavefunction | |
| get_nosym_kpoints(self, init_kpts=None, symprec=1e-5, gen_trsym=True, fil_trsym=True) | pawpyseed.core.wavefunction.Wavefunction | |
| get_state_realspace(self, b, k, s, dim=None) | pawpyseed.core.wavefunction.Wavefunction | |
| get_symmops(self, symprec) | pawpyseed.core.wavefunction.Wavefunction | |
| kpts(self) | pawpyseed.core.wavefunction.Wavefunction | |
| kws(self) | pawpyseed.core.wavefunction.Wavefunction | |
| make_c_projectors(self) | pawpyseed.core.wavefunction.Wavefunction | |
| make_site_lists(self) | pawpyseed.core.projector.Projector | |
| nband | pawpyseed.core.projector.Projector | |
| nosym_kpts | pawpyseed.core.wavefunction.Wavefunction | |
| nspin | pawpyseed.core.projector.Projector | |
| num_proj_els | pawpyseed.core.projector.Projector | |
| nums | pawpyseed.core.projector.Projector | |
| nwk | pawpyseed.core.projector.Projector | |
| op_nums | pawpyseed.core.wavefunction.Wavefunction | |
| orig_kptnums | pawpyseed.core.wavefunction.Wavefunction | |
| projector_list | pawpyseed.core.projector.Projector | |
| projector_owner | pawpyseed.core.projector.Projector | |
| proportion_conduction(self, band_num, spinpol=False) | pawpyseed.core.projector.Projector | |
| pseudo | pawpyseed.core.projector.Projector | |
| pwf | pawpyseed.core.projector.Projector | |
| setup_bases(basis_dirs, desymmetrize=True, atomate_compatible=True) | pawpyseed.core.projector.Projector | static |
| setup_multiple_projections(basis_dir, wf_dirs, pseudo=False, ignore_errors=False, desymmetrize=False, atomate_compatible=True) | pawpyseed.core.projector.Projector | static |
| setup_overlap(self) | pawpyseed.core.projector.Projector | |
| single_band_projection(self, band_num) | pawpyseed.core.projector.Projector | |
| site_cat | pawpyseed.core.projector.Projector | |
| structure | pawpyseed.core.projector.Projector | |
| symmops | pawpyseed.core.wavefunction.Wavefunction | |
| wf | pawpyseed.core.projector.Projector | |
| 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 | |
1.8.11
