qs_nonscf Module Reference

Routines for Quickstep NON-SCF run. More...

Functions/Subroutines
subroutine, public	nonscf (qs_env)
	Find solution to HC=SCE.

Detailed Description

Routines for Quickstep NON-SCF run.

History

• initial setup [JGH, 2024]

Author

JGH (13.05.2024)

Function/Subroutine Documentation

nonscf()

subroutine, public qs_nonscf::nonscf

(

type(qs_environment_type), pointer

qs_env

)

Find solution to HC=SCE.

Parameters

qs_env

the qs_environment where to perform the scf procedure

History

none

Author

JGH

Note

Definition at line 71 of file qs_nonscf.F.

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