qs_pdos.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_pdos
	Calculation and writing of projected density of states The DOS is computed per angular momentum and per kind.

Functions/Subroutines
subroutine, public	qs_pdos::calculate_projected_dos (mo_set, atomic_kind_set, qs_kind_set, particle_set, qs_env, dft_section, ispin, xas_mittle, external_matrix_shalf)
	Compute and write projected density of states. More...