qs_band_structure.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_band_structure
	Calculation of band structures.

Functions/Subroutines
subroutine, public	qs_band_structure::calculate_band_structure (qs_env)
	Main routine for band structure calculation.
subroutine, public	qs_band_structure::calculate_kp_orbitals (qs_env, kpoint, scheme, nadd, mp_grid, kpgeneral, group_size_ext)
	diagonalize KS matrices at a set of kpoints
subroutine, public	qs_band_structure::calculate_kpoints_for_bs (kpoint, scheme, group_size_ext, mp_grid, kpgeneral)
	...