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