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PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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#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.
1.8.11