kb_projector_oct_m Module Reference

Data Types
type	kb_projector_t

Functions/Subroutines
subroutine, public	kb_projector_init (kb_p, sm, pseudo, l, lm)
subroutine, public	kb_projector_end (kb_p)
subroutine, public	dkb_project (mesh, sm, kb_p, dim, psi, ppsi)
	dkb_project calculates the action of the projector kb_p on the psi wavefunction. The action of the projector kb_p is defined as: More...
subroutine, public	dkb_project_bra (mesh, sm, kb_p, dim, psi, uvpsi)
	THREADSAFE. More...
subroutine, public	dkb_project_ket (kb_p, dim, uvpsi, psi)
	THREADSAFE. More...
subroutine, public	zkb_project (mesh, sm, kb_p, dim, psi, ppsi)
	zkb_project calculates the action of the projector kb_p on the psi wavefunction. The action of the projector kb_p is defined as: More...
subroutine, public	zkb_project_bra (mesh, sm, kb_p, dim, psi, uvpsi)
	THREADSAFE. More...
subroutine, public	zkb_project_ket (kb_p, dim, uvpsi, psi)
	THREADSAFE. More...

Function/Subroutine Documentation

kb_projector_init()

subroutine, public kb_projector_oct_m::kb_projector_init	(	type(kb_projector_t), intent(inout)	kb_p,
		type(submesh_t), intent(in)	sm,
		class(pseudopotential_t), intent(in)	pseudo,
		integer, intent(in)	l,
		integer, intent(in)	lm
	)

Definition at line 154 of file kb_projector.F90.

kb_projector_end()

subroutine, public kb_projector_oct_m::kb_projector_end

(

type(kb_projector_t), intent(inout)

kb_p

)

Definition at line 191 of file kb_projector.F90.

dkb_project()

subroutine, public kb_projector_oct_m::dkb_project	(	type(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		type(kb_projector_t), intent(in)	kb_p,
		integer, intent(in)	dim,
		real(real64), dimension(:, :), intent(in)	psi,
		real(real64), dimension(:, :), intent(inout)	ppsi
	)

dkb_project calculates the action of the projector kb_p on the psi wavefunction. The action of the projector kb_p is defined as:

\[ \hat{kb_p} |psi> = \sum_{i}^kb_p\%n_c p\%e(i) |kb_p\%p(:, i)><kb_p\%p(:, i)|psi> \]

The result is summed up to ppsi.

Parameters

[in]	psi	(kbn_s, dim)
[in,out]	ppsi	(kbn_s, dim)

Definition at line 278 of file kb_projector.F90.

dkb_project_bra()

subroutine, public kb_projector_oct_m::dkb_project_bra	(	type(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		type(kb_projector_t), intent(in)	kb_p,
		integer, intent(in)	dim,
		real(real64), dimension(:,:), intent(in)	psi,
		real(real64), dimension(:,:), intent(out)	uvpsi
	)

THREADSAFE.

Parameters

[in]	psi	(1:ns, 1:dim)
[out]	uvpsi	(1:dim, 1:kb_pn_c)

Definition at line 304 of file kb_projector.F90.

dkb_project_ket()

subroutine, public kb_projector_oct_m::dkb_project_ket	(	type(kb_projector_t), intent(in)	kb_p,
		integer, intent(in)	dim,
		real(real64), dimension(:,:), intent(inout)	uvpsi,
		real(real64), dimension(:, :), intent(inout)	psi
	)

THREADSAFE.

Parameters

[in,out]	uvpsi	(1:dim, 1:kb_pn_c)
[in,out]	psi	(1:ns, 1:dim)

Definition at line 360 of file kb_projector.F90.

zkb_project()

subroutine, public kb_projector_oct_m::zkb_project	(	type(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		type(kb_projector_t), intent(in)	kb_p,
		integer, intent(in)	dim,
		complex(real64), dimension(:, :), intent(in)	psi,
		complex(real64), dimension(:, :), intent(inout)	ppsi
	)

zkb_project calculates the action of the projector kb_p on the psi wavefunction. The action of the projector kb_p is defined as:

\[ \hat{kb_p} |psi> = \sum_{i}^kb_p\%n_c p\%e(i) |kb_p\%p(:, i)><kb_p\%p(:, i)|psi> \]

The result is summed up to ppsi.

Parameters

[in]	psi	(kbn_s, dim)
[in,out]	ppsi	(kbn_s, dim)

Definition at line 479 of file kb_projector.F90.

zkb_project_bra()

subroutine, public kb_projector_oct_m::zkb_project_bra	(	type(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		type(kb_projector_t), intent(in)	kb_p,
		integer, intent(in)	dim,
		complex(real64), dimension(:,:), intent(in)	psi,
		complex(real64), dimension(:,:), intent(out)	uvpsi
	)

THREADSAFE.

Parameters

[in]	psi	(1:ns, 1:dim)
[out]	uvpsi	(1:dim, 1:kb_pn_c)

Definition at line 505 of file kb_projector.F90.

zkb_project_ket()

subroutine, public kb_projector_oct_m::zkb_project_ket	(	type(kb_projector_t), intent(in)	kb_p,
		integer, intent(in)	dim,
		complex(real64), dimension(:,:), intent(inout)	uvpsi,
		complex(real64), dimension(:, :), intent(inout)	psi
	)

THREADSAFE.

Parameters

[in,out]	uvpsi	(1:dim, 1:kb_pn_c)
[in,out]	psi	(1:ns, 1:dim)

Definition at line 561 of file kb_projector.F90.