qs_spectral_localizer Module Reference

Post-SCF finite-system spectral localizers and analytic AO position export. More...

Functions/Subroutines
subroutine, public	qs_scf_post_localizer (qs_env)
	Export finite AO positions and optionally evaluate localizers after SCF.

Detailed Description

Post-SCF finite-system spectral localizers and analytic AO position export.

Author

Thomas D. Kuehne, tkueh.nosp@m.ne@c.nosp@m.p2k.o.nosp@m.rg

Function/Subroutine Documentation

qs_scf_post_localizer()

subroutine, public qs_spectral_localizer::qs_scf_post_localizer

(

type(qs_environment_type), pointer

qs_env

)

Export finite AO positions and optionally evaluate localizers after SCF.

Parameters

qs_env

Converged Quickstep environment

Definition at line 78 of file qs_spectral_localizer.F.

Here is the call graph for this function:

Here is the caller graph for this function: