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projector_oct_m::projector_t Type Reference

The projector data type is intended to hold the local and non-local parts of the pseudopotentials. The definition of the action of a projector (which is done through the X(project) subroutine) depends on the type of the projector. More...

Detailed Description

The projector data type is intended to hold the local and non-local parts of the pseudopotentials. The definition of the action of a projector (which is done through the X(project) subroutine) depends on the type of the projector.

There are four different types:

  • local -> a local operator
  • HGH projector -> "normal"
  • normal Kleinman-Bylander projector (no spin-orbit)
  • relativistic Kleinman-Bylander projector (includes spin-orbit)

Definition at line 179 of file projector.F90.

Public Attributes

integer, public type = PROJ_NONE
 
integer, public lmax
 
integer, public lloc
 
type(submesh_t), public sphere
 
type(hgh_projector_t), dimension(:, :), allocatable, public hgh_p
 Only one of the following structures should be used at once The one to be used depends on the value of type variable. More...
 
type(kb_projector_t), dimension(:, :), allocatable, public kb_p
 
type(rkb_projector_t), dimension(:, :), allocatable, public rkb_p
 
complex(real64), dimension(:, :, :), allocatable, public phase
 

Private Attributes

integer nprojections
 
integer nik
 
integer reltype
 

Member Data Documentation

◆ type

integer, public projector_oct_m::projector_t::type = PROJ_NONE

Definition at line 181 of file projector.F90.

◆ nprojections

integer projector_oct_m::projector_t::nprojections
private

Definition at line 182 of file projector.F90.

◆ lmax

integer, public projector_oct_m::projector_t::lmax

Definition at line 183 of file projector.F90.

◆ lloc

integer, public projector_oct_m::projector_t::lloc

Definition at line 184 of file projector.F90.

◆ nik

integer projector_oct_m::projector_t::nik
private

Definition at line 185 of file projector.F90.

◆ reltype

integer projector_oct_m::projector_t::reltype
private

Definition at line 186 of file projector.F90.

◆ sphere

type(submesh_t), public projector_oct_m::projector_t::sphere

Definition at line 188 of file projector.F90.

◆ hgh_p

type(hgh_projector_t), dimension(:, :), allocatable, public projector_oct_m::projector_t::hgh_p

Only one of the following structures should be used at once The one to be used depends on the value of type variable.

Definition at line 193 of file projector.F90.

◆ kb_p

type(kb_projector_t), dimension(:, :), allocatable, public projector_oct_m::projector_t::kb_p

Definition at line 194 of file projector.F90.

◆ rkb_p

type(rkb_projector_t), dimension(:, :), allocatable, public projector_oct_m::projector_t::rkb_p

Definition at line 195 of file projector.F90.

◆ phase

complex(real64), dimension(:, :, :), allocatable, public projector_oct_m::projector_t::phase

Definition at line 196 of file projector.F90.

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