PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
|
#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 |
Contains the parameters for a fast spherical Bessel transform.
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.