Data Types
type	wan_opts_t

type	wan_proj_t
	this structure emulates the proj_type used by wannier90 library it is needed in the calculation of the initial overlaps AMN More...

Functions/Subroutines
subroutine, public	wannier_load_restart (namespace, mc, space, st, gr, kpoints, restart_states)
	Load Octopus restart data from disk. More...

subroutine, public	wan_opts_parse (namespace, wannier_opts)

subroutine, public	wannier_create_amn (wan_opts, exclude_list, band_index, space, mesh, latt, st, kpoints, spin_channel, num_proj, proj_input, projection)

subroutine, public	wannier_create_mmn (exclude_list, band_index, mesh, st, ions, spin_channel, nnlist, nncell, overlap)
	Kohn-Sham State Overlap Matrix. More...

Function/Subroutine Documentation

◆ wannier_load_restart()

subroutine, public wannier_oct_m::wannier_load_restart	(	type(namespace_t), intent(in)	namespace,
		type(multicomm_t), intent(in)	mc,
		class(space_t), intent(inout)	space,
		type(states_elec_t), intent(inout)	st,
		class(mesh_t), intent(inout)	gr,
		type(kpoints_t), intent(inout)	kpoints,
		integer, intent(in), optional	restart_states
	)

Load Octopus restart data from disk.

@NOTE Based on wannier90_output in wannier90_interface.F09 Should extract restart support for SCDM

Parameters

[in] restart_states RESTART_GS or RESTART_TD

Definition at line 181 of file wannier.F90.

subroutine, public wannier_oct_m::wan_opts_parse	(	type(namespace_t), intent(in)	namespace,
		type(wan_opts_t), intent(inout)	wannier_opts
	)

Definition at line 217 of file wannier.F90.

subroutine, public wannier_oct_m::wannier_create_amn	(	type(wan_opts_t), intent(in)	wan_opts,
		logical, dimension(:), intent(in)	exclude_list,
		integer, dimension(:), intent(in)	band_index,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in)	mesh,
		type(lattice_vectors_t), intent(in)	latt,
		type(states_elec_t), intent(in)	st,
		type(kpoints_t), intent(in)	kpoints,
		integer, intent(in)	spin_channel,
		integer, intent(in)	num_proj,
		type(wan_proj_t), dimension(:), intent(in)	proj_input,
		complex(real64), dimension(:, :, :), intent(out), contiguous	projection
	)

Definition at line 344 of file wannier.F90.

subroutine, public wannier_oct_m::wannier_create_mmn	(	logical, dimension(:), intent(in)	exclude_list,
		integer, dimension(:), intent(in)	band_index,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in), target	st,
		type(ions_t), intent(in)	ions,
		integer, intent(in)	spin_channel,
		integer, dimension(:,:), intent(in)	nnlist,
		integer, dimension(:,:,:), intent(in)	nncell,
		complex(real64), dimension(:, :, :, :), intent(out), contiguous	overlap
	)

Kohn-Sham State Overlap Matrix.

@NOTE Copy-pasted from wannier90_interface.F90, then modified to store full overlap in memory, rather than write out to file

@TODO

Definition at line 500 of file wannier.F90.