scattering Module

This module is for the calculation of scattering


Uses


Subroutines

public subroutine calc_elastic_scattering(p, g, f)

calculates the absolute square Fourier transform of the electron density on a cartesian reciprocal grid

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(grid3d), intent(in) :: g
type(wf_data), intent(in) :: f

public subroutine calc_waller_hartree_scattering(p, b, g, f)

calculates inelastic scattering in the Waller_Hartree approximation

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(basis), intent(in) :: b
type(grid3d), intent(in) :: g
type(wf_data), intent(in) :: f