PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
|
Namespaces | |
gaunt | |
noncollinear | |
projector | |
Defines the Projector class for evaluating AE and PS projection operators. | |
quad_check | |
quadrature | |
rayleigh | |
symmetry | |
Utilities related to symmetry of the crystal structure, namely finding symmetrically identical k-points and the space group operators that map between them. | |
test_radial | |
utils | |
Miscellaneous utilities file for the Python portion of the code. | |
wavefunction | |
Base class containing Python classes for parsing files and storing and analyzing wavefunction data. | |