Functions/Subroutines
subroutine, public	magnetic_density (mesh, std, rho, md)

subroutine, public	magnetic_moment (mesh, st, rho, mm)

subroutine, public	compute_and_write_magnetic_moments (gr, st, phase, ep, ions, lmm_r, calc_orb_moments, iunit, namespace)
	Computes and prints the global and local magnetic moments. More...

subroutine, public	magnetic_local_moments (mesh, st, ions, boundaries, rho, rr, lmm)

subroutine	magnetic_orbital_moments (gr, st, phase, ep, ions, rho, rr, lom)
	@bief Computes orbital moments around the atoms in the GIPAW gauge More...

subroutine, public	magnetic_total_magnetization (mesh, st, qq, trans_mag)

subroutine, public	magnetic_induced (namespace, gr, st, psolver, kpoints, a_ind, b_ind)
	This subroutine receives as input a current, and produces as an output the vector potential that it induces. More...

subroutine, public	write_total_xc_torque (iunit, mesh, vxc, st)

subroutine, public	calc_xc_torque (mesh, vxc, st, torque)

Function/Subroutine Documentation

◆ magnetic_density()

subroutine, public magnetic_oct_m::magnetic_density	(	class(mesh_t), intent(in)	mesh,
		type(states_elec_dim_t), intent(in)	std,
		real(real64), dimension(:,:), intent(in)	rho,
		real(real64), dimension(:,:), intent(out)	md
	)

Parameters

[in]	rho	(np, stdnspin)
[out]	md	(np, 3)

Definition at line 163 of file magnetic.F90.

◆ magnetic_moment()

subroutine, public magnetic_oct_m::magnetic_moment	(	class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		real(real64), dimension(:,:), intent(in)	rho,
		real(real64), dimension(3), intent(out)	mm
	)

Definition at line 190 of file magnetic.F90.

◆ compute_and_write_magnetic_moments()

subroutine, public magnetic_oct_m::compute_and_write_magnetic_moments	(	type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(in)	st,
		type(phase_t), intent(in)	phase,
		type(epot_t), intent(in)	ep,
		type(ions_t), intent(in)	ions,
		real(real64), intent(in)	lmm_r,
		logical, intent(in), optional	calc_orb_moments,
		integer, intent(in), optional	iunit,
		type(namespace_t), intent(in), optional	namespace
	)

Computes and prints the global and local magnetic moments.

Definition at line 213 of file magnetic.F90.

◆ magnetic_local_moments()

subroutine, public magnetic_oct_m::magnetic_local_moments	(	class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		type(ions_t), intent(in)	ions,
		type(boundaries_t), intent(in)	boundaries,
		real(real64), dimension(:,:), intent(in)	rho,
		real(real64), intent(in)	rr,
		real(real64), dimension(max(mesh%box%dim, 3), ions%natoms), intent(out)	lmm
	)

Definition at line 288 of file magnetic.F90.

◆ magnetic_orbital_moments()

subroutine magnetic_oct_m::magnetic_orbital_moments	(	type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(in)	st,
		type(phase_t), intent(in)	phase,
		type(epot_t), intent(in)	ep,
		type(ions_t), intent(in)	ions,
		real(real64), dimension(:,:), intent(in)	rho,
		real(real64), intent(in)	rr,
		real(real64), dimension(3, ions%natoms), intent(out)	lom
	)

private

@bief Computes orbital moments around the atoms in the GIPAW gauge

This is the R-centered orbital angular momentum as defined in Pickard and Mauri

[ \hat{\mathbf{L}_i} = (\mathbf{r} - R_i) \times \mathbf{p}

\mathbf{R}_{i} \times \left[ V_{i}^{\mathrm{nl}}, \mathbf{r} \right]. ]

See Pickard and Mauri, PRL 91, 196401 (2003).

Definition at line 365 of file magnetic.F90.

◆ magnetic_total_magnetization()

subroutine, public magnetic_oct_m::magnetic_total_magnetization	(	class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		real(real64), dimension(:), intent(in)	qq,
		complex(real64), dimension(6), intent(out)	trans_mag
	)

Definition at line 473 of file magnetic.F90.

◆ magnetic_induced()

subroutine, public magnetic_oct_m::magnetic_induced	(	type(namespace_t), intent(in)	namespace,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(inout)	st,
		type(poisson_t), intent(in)	psolver,
		type(kpoints_t), intent(in)	kpoints,
		real(real64), dimension(:, :), intent(out), contiguous	a_ind,
		real(real64), dimension(:, :), intent(out), contiguous	b_ind
	)

This subroutine receives as input a current, and produces as an output the vector potential that it induces.

Warning: There is probably a problem for 2D. For 1D none of this makes sense?

Parameters

[out]	a_ind	a_ind(dermeshnp_part, derdim)
[out]	b_ind	if derdim=3, b_ind(dermeshnp_part, derdim) if derdim=2, b_ind(dermeshnp_part, 1)

Definition at line 516 of file magnetic.F90.

◆ write_total_xc_torque()

subroutine, public magnetic_oct_m::write_total_xc_torque	(	integer, intent(in)	iunit,
		class(mesh_t), intent(in)	mesh,
		real(real64), dimension(:,:), intent(in)	vxc,
		type(states_elec_t), intent(in)	st
	)

Definition at line 566 of file magnetic.F90.

◆ calc_xc_torque()

subroutine, public magnetic_oct_m::calc_xc_torque	(	class(mesh_t), intent(in)	mesh,
		real(real64), dimension(:,:), intent(in)	vxc,
		type(states_elec_t), intent(in)	st,
		real(real64), dimension(:,:), intent(inout)	torque
	)

Definition at line 594 of file magnetic.F90.

Functions/Subroutines