nonlocal_overlap_matrix_oct_m::overlap_cluster_t Type Reference

One connected component of the projector-overlap graph. More...

Detailed Description

One connected component of the projector-overlap graph.

Each cluster stores its member projector matrices and the dense inverse-overlap coupling mix = -T for the whole component. Singletons (no distinct-atom overlap) reduce to the current per-atom inverse.

Definition at line 151 of file nonlocal_overlap_matrix.F90.

Private Attributes
integer	nmat = 0
	number of projector matrices in the cluster More...
integer, dimension(:), allocatable	imats
	(nmat) member projector-matrix indices, ascending More...
integer, dimension(:), allocatable	coff
	(nmat) 0-based offset of each member in the block More...
integer	nc = 0
	total projectors in the cluster More...
logical	is_cmplx = .false.
	T is complex (phased projectors) More...
real(real64), dimension(:, :, :), allocatable	dt
	mix = -T for this cluster. The last index is the (local) k-point; a single slot when the projector phases are not used (finite systems / Gamma without a vector potential). More...
complex(real64), dimension(:, :, :), allocatable	zt
	(nc, nc, kmin:kmax), complex path More...

Member Data Documentation

nmat

integer nonlocal_overlap_matrix_oct_m::overlap_cluster_t::nmat = 0

private

number of projector matrices in the cluster

Definition at line 152 of file nonlocal_overlap_matrix.F90.

imats

integer, dimension(:), allocatable nonlocal_overlap_matrix_oct_m::overlap_cluster_t::imats

private

(nmat) member projector-matrix indices, ascending

Definition at line 153 of file nonlocal_overlap_matrix.F90.

coff

integer, dimension(:), allocatable nonlocal_overlap_matrix_oct_m::overlap_cluster_t::coff

private

(nmat) 0-based offset of each member in the block

Definition at line 154 of file nonlocal_overlap_matrix.F90.

nc

integer nonlocal_overlap_matrix_oct_m::overlap_cluster_t::nc = 0

private

total projectors in the cluster

Definition at line 155 of file nonlocal_overlap_matrix.F90.

is_cmplx

logical nonlocal_overlap_matrix_oct_m::overlap_cluster_t::is_cmplx = .false.

private

T is complex (phased projectors)

Definition at line 156 of file nonlocal_overlap_matrix.F90.

dt

real(real64), dimension(:, :, :), allocatable nonlocal_overlap_matrix_oct_m::overlap_cluster_t::dt

private

mix = -T for this cluster. The last index is the (local) k-point; a single slot when the projector phases are not used (finite systems / Gamma without a vector potential).

(nc, nc, kmin:kmax), real path

Definition at line 159 of file nonlocal_overlap_matrix.F90.

zt

complex(real64), dimension(:, :, :), allocatable nonlocal_overlap_matrix_oct_m::overlap_cluster_t::zt

private

(nc, nc, kmin:kmax), complex path

Definition at line 160 of file nonlocal_overlap_matrix.F90.

---

The documentation for this type was generated from the following file:

• hamiltonian/nonlocal_overlap_matrix.F90