qs_scf_post_tb.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_scf_post_tb
	Does all kind of post scf calculations for DFTB.

Functions/Subroutines
subroutine, public	qs_scf_post_tb::scf_post_calculation_tb (qs_env, tb_type, no_mos)
	collects possible post - scf calculations and prints info / computes properties.
subroutine, public	qs_scf_post_tb::make_lumo_tb (qs_env, scf_env, unoccupied_orbs, unoccupied_evals, nlumo, nlumos)
	Gets the lumos, and eigenvalues for the lumos.