elf_oct_m Module Reference

Functions/Subroutines
subroutine, public	elf_init (namespace)
subroutine, public	elf_calc (space, st, gr, kpoints, elf, de)
	(time-dependent) electron localization function, (TD)ELF. More...

Variables
logical	with_current_term = .true.

Function/Subroutine Documentation

elf_init()

subroutine, public elf_oct_m::elf_init

(

type(namespace_t), intent(in)

namespace

)

Definition at line 143 of file elf.F90.

elf_calc()

subroutine, public elf_oct_m::elf_calc	(	class(space_t), intent(in)	space,
		type(states_elec_t), intent(inout)	st,
		type(grid_t), intent(in)	gr,
		type(kpoints_t), intent(in)	kpoints,
		real(real64), dimension(:,:), intent(inout)	elf,
		real(real64), dimension(:,:), intent(inout), optional	de
	)

(time-dependent) electron localization function, (TD)ELF.

Parameters

[in,out]

elf

elf(grnp, 1) if stdispin = 1, elf(grnp, 3) otherwise. On output, it should contain the global ELF if stdispin = 1, otherwise elf(:, 3) contains the global ELF, and elf(:, 1) and elf(:, 2) the spin-resolved ELF.

Definition at line 166 of file elf.F90.

Variable Documentation

with_current_term

logical elf_oct_m::with_current_term = .true.

private

Definition at line 139 of file elf.F90.