(git:58e3e09)
qs_band_structure.F File Reference

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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. More...
 
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 More...
 
subroutine, public qs_band_structure::calculate_kpoints_for_bs (kpoint, scheme, group_size_ext, mp_grid, kpgeneral)
 ... More...