qs_elf_methods Module Reference

Does all kind of post scf calculations for GPW/GAPW. More...

Functions/Subroutines
subroutine, public	qs_elf_calc (qs_env, elf_r, rho_cutoff)
	...

Detailed Description

Does all kind of post scf calculations for GPW/GAPW.

History

Taken out from qs_scf_post_gpw

Author

JGH

Function/Subroutine Documentation

qs_elf_calc()

subroutine, public qs_elf_methods::qs_elf_calc	(	type(qs_environment_type), pointer	qs_env,
		type(pw_r3d_rs_type), dimension(:), intent(in)	elf_r,
		real(kind=dp), intent(in)	rho_cutoff
	)

...

Parameters

qs_env	...
elf_r	...
rho_cutoff	...

Definition at line 53 of file qs_elf_methods.F.

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