current_oct_m Module Reference

Data Types
type	current_t

Functions/Subroutines
subroutine, public	current_init (this, namespace)
subroutine	current_batch_accumulate (st, der, ik, ib, psib, gpsib)
subroutine, public	current_calculate (this, namespace, gr, hm, space, st)
	Compute total electronic current density. More...
subroutine	current_calculate_dia_non_unif_vec_pot (der, hm, st)
	Compute diamagnetic current density from non-uniform vector potential (the part coming from the uniform vector potential is already included in the paramagnetic term) More...
subroutine, public	current_calculate_mag (der, st)
	Compute magnetization current Note: due to the the numerical curl, the magnetization current could deviate from the analytical one near the origin (see test for "current_density"). More...
subroutine	current_calculate_para (this, namespace, gr, hm, space, st)
	Compute paramagnetic current density (including full diamagnetic term if method = Hamiltonian us used, and including diamagnetic from uniform vector potential otherwise) More...
subroutine, public	current_calculate_mel (der, hm, psi_i, psi_j, ik, cmel)
subroutine, public	current_heat_calculate (space, der, hm, st, current)

Variables
integer, parameter, public	current_gradient = 1
integer, parameter, public	current_gradient_corr = 2
integer, parameter, public	current_hamiltonian = 3

Function/Subroutine Documentation

current_init()

subroutine, public current_oct_m::current_init	(	type(current_t), intent(out)	this,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 176 of file current.F90.

current_batch_accumulate()

subroutine current_oct_m::current_batch_accumulate ( type(states_elec_t), intent(inout)  st, type(derivatives_t), intent(inout)  der, integer, intent(in)  ik, integer, intent(in)  ib, type(wfs_elec_t), intent(in)  psib, class(wfs_elec_t), dimension(:), intent(in)  gpsib  )

private

Definition at line 224 of file current.F90.

current_calculate()

subroutine, public current_oct_m::current_calculate	(	type(current_t), intent(in)	this,
		type(namespace_t), intent(in)	namespace,
		type(grid_t), intent(inout)	gr,
		type(hamiltonian_elec_t), intent(in)	hm,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(inout)	st
	)

Compute total electronic current density.

Definition at line 366 of file current.F90.

current_calculate_dia_non_unif_vec_pot()

subroutine current_oct_m::current_calculate_dia_non_unif_vec_pot ( type(derivatives_t), intent(inout)  der, type(hamiltonian_elec_t), intent(in)  hm, type(states_elec_t), intent(inout)  st  )

private

Compute diamagnetic current density from non-uniform vector potential (the part coming from the uniform vector potential is already included in the paramagnetic term)

Definition at line 394 of file current.F90.

current_calculate_mag()

subroutine, public current_oct_m::current_calculate_mag	(	type(derivatives_t), intent(inout)	der,
		type(states_elec_t), intent(inout)	st
	)

Compute magnetization current Note: due to the the numerical curl, the magnetization current could deviate from the analytical one near the origin (see test for "current_density").

Definition at line 429 of file current.F90.

current_calculate_para()

subroutine current_oct_m::current_calculate_para ( type(current_t), intent(in)  this, type(namespace_t), intent(in)  namespace, type(grid_t), intent(inout)  gr, type(hamiltonian_elec_t), intent(in)  hm, class(space_t), intent(in)  space, type(states_elec_t), intent(inout)  st  )

private

Compute paramagnetic current density (including full diamagnetic term if method = Hamiltonian us used, and including diamagnetic from uniform vector potential otherwise)

Definition at line 468 of file current.F90.

current_calculate_mel()

subroutine, public current_oct_m::current_calculate_mel	(	type(derivatives_t), intent(inout)	der,
		type(hamiltonian_elec_t), intent(in)	hm,
		complex(real64), dimension(:,:), intent(in)	psi_i,
		complex(real64), dimension(:,:), intent(in)	psi_j,
		integer, intent(in)	ik,
		complex(real64), dimension(:,:), intent(out)	cmel
	)

Definition at line 763 of file current.F90.

current_heat_calculate()

subroutine, public current_oct_m::current_heat_calculate	(	class(space_t), intent(in)	space,
		type(derivatives_t), intent(in)	der,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(states_elec_t), intent(in)	st,
		real(real64), dimension(:, :, :), intent(out)	current
	)

Definition at line 858 of file current.F90.

Variable Documentation

current_gradient

integer, parameter, public current_oct_m::current_gradient = 1

Definition at line 169 of file current.F90.

current_gradient_corr

integer, parameter, public current_oct_m::current_gradient_corr = 2

Definition at line 169 of file current.F90.

current_hamiltonian

integer, parameter, public current_oct_m::current_hamiltonian = 3

Definition at line 169 of file current.F90.