ps_in_grid_oct_m::ps_in_grid_t Type Reference

Detailed Description

Definition at line 138 of file ps_in_grid.F90.

Private Attributes
type(logrid_t)	g
	log grid where the pseudos are defined More...
real(real64)	zval
	valence charge More...
integer	no_l_channels
	number of l channels to consider More...
real(real64), dimension(:, :), allocatable	vps
	the pseudopotential (l=0 .. no_l_channels-1) More...
real(real64), dimension(:,:), allocatable	kb
	Kleinman-Bylander projectors. More...
real(real64), dimension(:), allocatable	dkbcos
	Kleinman-Bylander cosine. More...
real(real64), dimension(:), allocatable, private	dknorm
	Kleinman-Bylander norm. More...
real(real64), dimension(:), allocatable	kb_radius
	radius of KB projectors More...
integer	so_no_l_channels
real(real64), dimension(:,:), allocatable	so_vps
	spin-orbit components (l=1 .. so_no_l_channels) More...
real(real64), dimension(:,:), allocatable, private	so_kb
	Kleinman-Bylander projectors. More...
real(real64), dimension(:), allocatable, private	so_dkbcos
	Kleinman-Bylander cosine. More...
real(real64), dimension(:), allocatable, private	so_dknorm
	Kleinman-Bylander norm. More...
real(real64), dimension(:), allocatable, private	so_kb_radius
	radius of KB projectors More...
real(real64), dimension(:), allocatable	vlocal
	local part of the pseudopotential More...
real(real64), dimension(:, :,:), allocatable	rphi
	pseudo wavefunctions More...
logical	core_corrections
real(real64), dimension(:), allocatable	chcore
	core charge density More...

Member Data Documentation

g

type(logrid_t) ps_in_grid_oct_m::ps_in_grid_t::g

private

log grid where the pseudos are defined

Definition at line 140 of file ps_in_grid.F90.

zval

real(real64) ps_in_grid_oct_m::ps_in_grid_t::zval

private

valence charge

Definition at line 142 of file ps_in_grid.F90.

no_l_channels

integer ps_in_grid_oct_m::ps_in_grid_t::no_l_channels

private

number of l channels to consider

Definition at line 144 of file ps_in_grid.F90.

vps

real(real64), dimension(:, :), allocatable ps_in_grid_oct_m::ps_in_grid_t::vps

private

the pseudopotential (l=0 .. no_l_channels-1)

Definition at line 145 of file ps_in_grid.F90.

kb

real(real64), dimension(:,:), allocatable ps_in_grid_oct_m::ps_in_grid_t::kb

private

Kleinman-Bylander projectors.

Definition at line 146 of file ps_in_grid.F90.

dkbcos

real(real64), dimension(:), allocatable ps_in_grid_oct_m::ps_in_grid_t::dkbcos

private

Kleinman-Bylander cosine.

Definition at line 147 of file ps_in_grid.F90.

dknorm

real(real64), dimension(:), allocatable, private ps_in_grid_oct_m::ps_in_grid_t::dknorm

private

Kleinman-Bylander norm.

Definition at line 148 of file ps_in_grid.F90.

kb_radius

real(real64), dimension(:), allocatable ps_in_grid_oct_m::ps_in_grid_t::kb_radius

private

radius of KB projectors

Definition at line 149 of file ps_in_grid.F90.

so_no_l_channels

integer ps_in_grid_oct_m::ps_in_grid_t::so_no_l_channels

private

Definition at line 151 of file ps_in_grid.F90.

so_vps

real(real64), dimension(:,:), allocatable ps_in_grid_oct_m::ps_in_grid_t::so_vps

private

spin-orbit components (l=1 .. so_no_l_channels)

Definition at line 152 of file ps_in_grid.F90.

so_kb

real(real64), dimension(:,:), allocatable, private ps_in_grid_oct_m::ps_in_grid_t::so_kb

private

Kleinman-Bylander projectors.

Definition at line 153 of file ps_in_grid.F90.

so_dkbcos

real(real64), dimension(:), allocatable, private ps_in_grid_oct_m::ps_in_grid_t::so_dkbcos

private

Kleinman-Bylander cosine.

Definition at line 154 of file ps_in_grid.F90.

so_dknorm

real(real64), dimension(:), allocatable, private ps_in_grid_oct_m::ps_in_grid_t::so_dknorm

private

Kleinman-Bylander norm.

Definition at line 155 of file ps_in_grid.F90.

so_kb_radius

real(real64), dimension(:), allocatable, private ps_in_grid_oct_m::ps_in_grid_t::so_kb_radius

private

radius of KB projectors

Definition at line 156 of file ps_in_grid.F90.

vlocal

real(real64), dimension(:), allocatable ps_in_grid_oct_m::ps_in_grid_t::vlocal

private

local part of the pseudopotential

Definition at line 158 of file ps_in_grid.F90.

rphi

real(real64), dimension(:, :,:), allocatable ps_in_grid_oct_m::ps_in_grid_t::rphi

private

pseudo wavefunctions

Definition at line 159 of file ps_in_grid.F90.

core_corrections

logical ps_in_grid_oct_m::ps_in_grid_t::core_corrections

private

Definition at line 161 of file ps_in_grid.F90.

chcore

real(real64), dimension(:), allocatable ps_in_grid_oct_m::ps_in_grid_t::chcore

private

core charge density

Definition at line 162 of file ps_in_grid.F90.

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

• species/ps_in_grid.F90