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

- Main Page
- Classes
- Files

- Class List
- Class Index
- Class Hierarchy
- Class Members

- All
- Functions
- Variables

- _
- a
- c
- d
- f
- g
- m
- p
- r
- s
- u
- w

### - _ -

- __init__() : pawpyseed.analysis.corrections.DelocalizedStatePerturbationCorrection , pawpyseed.analysis.corrections.PerturbationCorrection , pawpyseed.analysis.defect_composition.BulkCharacter , pawpyseed.analysis.defect_composition.PawpyData , pawpyseed.analysis.run_pawpy.DefectWorkflowWavefunctionHandle , pawpyseed.analysis.run_pawpy.DummyFirework , pawpyseed.analysis.run_pawpy.PathHolder , pawpyseed.core.momentum.MomentumMatrix , pawpyseed.core.noncollinear.NCLWavefunction , pawpyseed.core.projector.Projector , pawpyseed.core.utils.PAWpyError , pawpyseed.core.utils.PAWpyWarning , pawpyseed.core.wavefunction.CoreRegion , pawpyseed.core.wavefunction.Pseudopotential , pawpyseed.core.wavefunction.Wavefunction

### - a -

- as_dict() : pawpyseed.analysis.defect_composition.BulkCharacter , pawpyseed.analysis.defect_composition.PawpyData

### - c -

- check_c_projectors() : pawpyseed.core.wavefunction.Wavefunction

### - d -

- defect_band_analysis() : pawpyseed.core.projector.Projector
- desymmetrized_copy() : pawpyseed.core.noncollinear.NCLWavefunction , pawpyseed.core.wavefunction.Wavefunction

### - f -

- from_atomate_directory() : pawpyseed.core.wavefunction.Wavefunction
- from_dict() : pawpyseed.analysis.defect_composition.BulkCharacter , pawpyseed.analysis.defect_composition.PawpyData
- from_directory() : pawpyseed.core.noncollinear.NCLWavefunction , pawpyseed.core.wavefunction.Wavefunction
- from_files() : pawpyseed.core.noncollinear.NCLWavefunction , pawpyseed.core.wavefunction.Wavefunction
- from_yaml() : pawpyseed.analysis.defect_composition.PawpyData

### - g -

- g_from_wf() : pawpyseed.core.momentum.MomentumMatrix
- get_correction() : pawpyseed.analysis.corrections.DelocalizedStatePerturbationCorrection , pawpyseed.analysis.corrections.PerturbationCorrection
- get_kpt_mapping() : pawpyseed.core.wavefunction.Wavefunction
- get_momentum_matrix_elems() : pawpyseed.core.momentum.MomentumMatrix
- get_nosym_kpoints() : pawpyseed.core.wavefunction.Wavefunction
- get_realspace_density() : pawpyseed.core.wavefunction.Wavefunction
- get_reciprocal_fullfw() : pawpyseed.core.momentum.MomentumMatrix
- get_state_realspace() : pawpyseed.core.wavefunction.Wavefunction
- get_state_realspace_density() : pawpyseed.core.wavefunction.Wavefunction

### - m -

- make_nums() : pawpyseed.core.wavefunction.Pseudopotential
- make_site_lists() : pawpyseed.core.projector.Projector
- makeit() : pawpyseed.analysis.defect_composition.BasisExpansion , pawpyseed.analysis.defect_composition.BulkCharacter
- momentum_grid() : pawpyseed.core.momentum.MomentumMatrix

### - p -

- plot() : pawpyseed.analysis.defect_composition.BulkCharacter
- proportion_conduction() : pawpyseed.core.projector.Projector

### - r -

- run_pawpy() : pawpyseed.analysis.run_pawpy.DefectWorkflowWavefunctionHandle

### - s -

- set_band_properties() : pawpyseed.analysis.defect_composition.PawpyData
- setup_bases() : pawpyseed.core.projector.Projector
- setup_multiple_projections() : pawpyseed.core.projector.Projector
- setup_overlap() : pawpyseed.core.projector.Projector
- single_band_projection() : pawpyseed.core.projector.Projector

### - u -

- update_dim() : pawpyseed.core.wavefunction.Wavefunction

### - w -

- write_density_realspace() : pawpyseed.core.noncollinear.NCLWavefunction , pawpyseed.core.wavefunction.Wavefunction
- write_state_realspace() : pawpyseed.core.noncollinear.NCLWavefunction , pawpyseed.core.wavefunction.Wavefunction
- write_yaml() : pawpyseed.analysis.defect_composition.PawpyData