qs_linres_atom_current.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_linres_atom_current
	given the response wavefunctions obtained by the application of the (rxp), p, and ((dk-dl)xp) operators, here the current density vector (jx, jy, jz) is computed for the 3 directions of the magnetic field (Bx, By, Bz)

Functions/Subroutines
subroutine, public	qs_linres_atom_current::calculate_jrho_atom_coeff (qs_env, current_env, mat_d0, mat_jp, mat_jp_rii, mat_jp_riii, ib, idir)
	Calculate the expansion coefficients for the atomic terms of the current densitiy in GAPW.
subroutine, public	qs_linres_atom_current::calculate_jrho_atom_rad (qs_env, current_env, idir)
	...
subroutine, public	qs_linres_atom_current::calculate_jrho_atom (current_env, qs_env, ib, idir)
	...