PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Public Attributes | List of all members
sbt_descriptor Struct Reference

#include <sbt.h>

Public Attributes

double kmin
 Minimum reciprocal space value. More...
 
double kappamin
 ln(kmin) More...
 
double rmin
 Minimum real space value. More...
 
double rhomin
 ln(rmin) More...
 
double drho
 linear increment of rho = ln(r), drho == dkappa More...
 
double dt
 increment of the multiplication table More...
 
int N
 number of values of r and k More...
 
double complex ** mult_table
 M_l(t) for l up to lmax. More...
 
double * ks
 Reciprocal space grid. More...
 
double * rs
 Real space grid. More...
 
int lmax
 

Detailed Description

Contains the parameters for a fast spherical Bessel transform.

Member Data Documentation

double sbt_descriptor::drho

linear increment of rho = ln(r), drho == dkappa

double sbt_descriptor::dt

increment of the multiplication table

double sbt_descriptor::kappamin

ln(kmin)

double sbt_descriptor::kmin

Minimum reciprocal space value.

double* sbt_descriptor::ks

Reciprocal space grid.

int sbt_descriptor::lmax
double complex** sbt_descriptor::mult_table

M_l(t) for l up to lmax.

int sbt_descriptor::N

number of values of r and k

double sbt_descriptor::rhomin

ln(rmin)

double sbt_descriptor::rmin

Minimum real space value.

double* sbt_descriptor::rs

Real space grid.


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