#include <utils.h>

Collaboration diagram for band:

Public Attributes
int	n
	band number More...

int	num_waves
	number of plane waves More...

double	occ
	occupancy of the band More...

double	N

double	energy
	energy of the band More...

float complex *	Cs
	plane wave coefficients (normalized to 1) More...

double complex *	CRs
	wavefunction in real space More...

float complex *	CAs
	wavefunction in reciprocal space More...

projection_t *	projections
	length==number of sites in structure More...

projection_t *	up_projections
	length==number of sites in structure More...

projection_t *	down_projections
	length==number of sites in structure More...

projection_t *	wave_projections
	used for offsite compensation terms More...

Detailed Description

Stores the data for a single band, or Kohn Sham single particle state, for a structure

Member Data Documentation

float complex* band::CAs

wavefunction in reciprocal space

double complex* band::CRs

wavefunction in real space

float complex* band::Cs

plane wave coefficients (normalized to 1)

projection_t* band::down_projections

length==number of sites in structure

double band::energy

energy of the band

int band::n

band number

double band::N

int band::num_waves

number of plane waves

double band::occ

occupancy of the band

projection_t* band::projections

length==number of sites in structure

projection_t* band::up_projections

length==number of sites in structure

projection_t* band::wave_projections

used for offsite compensation terms

The documentation for this struct was generated from the following file: