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PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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#include <utils.h>

Public Attributes | |
| short int | up |
| spin More... | |
| int | num_waves |
| number of plane waves in a band More... | |
| int * | Gs |
| plane wave coefficients, in sets of three More... | |
| double * | k |
| k-point vector More... | |
| double | weight |
| k-point weight More... | |
| int | num_bands |
| number of bands More... | |
| band_t ** | bands |
| bands with this k-point More... | |
| rayleigh_set_t ** | expansion |
| band_t** kpoint::bands |
bands with this k-point
| rayleigh_set_t** kpoint::expansion |
| int* kpoint::Gs |
plane wave coefficients, in sets of three
| double* kpoint::k |
k-point vector
| int kpoint::num_bands |
number of bands
| int kpoint::num_waves |
number of plane waves in a band
| short int kpoint::up |
spin
| double kpoint::weight |
k-point weight
1.8.11