Documentation for module qs_pdos

Calculation and writing of projected density of states The DOS is computed per angular momentum and per kind

source: qs_pdos.F
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public Subroutines/Functions:

Compute and write projected density of states

SUBROUTINEcalculate_projected_dos(mo_set, atomic_kind_set, qs_kind_set, particle_set, qs_env, dft_section, ispin, xas_mittle)

Compute and write projected density of states

Arguments:
POINTER
:: mo_set ...
POINTER
:: atomic_kind_set(:) ...
POINTER
:: qs_kind_set(:) ...
POINTER
:: particle_set(:) ...
POINTER
:: qs_env ...
POINTER
:: dft_section ...
INTEGER,
INTENT(in),
OPTIONAL
:: ispin ...
INTENT(in),
OPTIONAL
:: xas_mittle ...