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Public Attributes | Private Member Functions | Private Attributes | List of all members
xc_oct_m::xc_t Type Reference

Detailed Description

Definition at line 186 of file xc.F90.

Public Attributes

integer, public family
 the families present More...
 
integer, public flags
 flags of the xc functional More...
 
integer, public kernel_family
 
type(xc_functional_t), dimension(2, 2), public functional
 (FUNC_X,:) => exchange, (FUNC_C,:) => correlation (:,1) => unpolarized, (:,2) => polarized More...
 
type(xc_functional_t), dimension(2, 2), public kernel
 
real(real64), public kernel_lrc_alpha
 long-range correction alpha parameter for kernel in solids More...
 
real(real64), public kernel_proca_a_zero
 paramter a_0 in the Proca equation More...
 
real(real64), public kernel_proca_a_one
 paramter a_1 in the Proca equation More...
 
type(xc_cam_t), public cam
 Coulomb-attenuating method parameters for hybrid functionals. More...
 

Private Member Functions

procedure compute_exchange => xc_compute_exchange
 

Private Attributes

logical use_gi_ked
 should we use the gauge-independent kinetic energy density? More...
 
integer xc_density_correction
 
logical xcd_optimize_cutoff
 
real(real64) xcd_ncutoff
 
logical xcd_minimum
 
logical xcd_normalize
 
logical parallel
 
type(internal_quantities_t) quantities
 

Member Function/Subroutine Documentation

◆ compute_exchange()

procedure xc_oct_m::xc_t::compute_exchange
private

Definition at line 211 of file xc.F90.

Member Data Documentation

◆ family

integer, public xc_oct_m::xc_t::family

the families present

Definition at line 188 of file xc.F90.

◆ flags

integer, public xc_oct_m::xc_t::flags

flags of the xc functional

Definition at line 189 of file xc.F90.

◆ kernel_family

integer, public xc_oct_m::xc_t::kernel_family

Definition at line 190 of file xc.F90.

◆ functional

type(xc_functional_t), dimension(2,2), public xc_oct_m::xc_t::functional

(FUNC_X,:) => exchange, (FUNC_C,:) => correlation (:,1) => unpolarized, (:,2) => polarized

Definition at line 191 of file xc.F90.

◆ kernel

type(xc_functional_t), dimension(2,2), public xc_oct_m::xc_t::kernel

Definition at line 194 of file xc.F90.

◆ kernel_lrc_alpha

real(real64), public xc_oct_m::xc_t::kernel_lrc_alpha

long-range correction alpha parameter for kernel in solids

Definition at line 195 of file xc.F90.

◆ kernel_proca_a_zero

real(real64), public xc_oct_m::xc_t::kernel_proca_a_zero

paramter a_0 in the Proca equation

Definition at line 196 of file xc.F90.

◆ kernel_proca_a_one

real(real64), public xc_oct_m::xc_t::kernel_proca_a_one

paramter a_1 in the Proca equation

Definition at line 197 of file xc.F90.

◆ cam

type(xc_cam_t), public xc_oct_m::xc_t::cam

Coulomb-attenuating method parameters for hybrid functionals.

Definition at line 198 of file xc.F90.

◆ use_gi_ked

logical xc_oct_m::xc_t::use_gi_ked
private

should we use the gauge-independent kinetic energy density?

Definition at line 200 of file xc.F90.

◆ xc_density_correction

integer xc_oct_m::xc_t::xc_density_correction
private

Definition at line 201 of file xc.F90.

◆ xcd_optimize_cutoff

logical xc_oct_m::xc_t::xcd_optimize_cutoff
private

Definition at line 202 of file xc.F90.

◆ xcd_ncutoff

real(real64) xc_oct_m::xc_t::xcd_ncutoff
private

Definition at line 203 of file xc.F90.

◆ xcd_minimum

logical xc_oct_m::xc_t::xcd_minimum
private

Definition at line 204 of file xc.F90.

◆ xcd_normalize

logical xc_oct_m::xc_t::xcd_normalize
private

Definition at line 205 of file xc.F90.

◆ parallel

logical xc_oct_m::xc_t::parallel
private

Definition at line 206 of file xc.F90.

◆ quantities

type(internal_quantities_t) xc_oct_m::xc_t::quantities
private

Definition at line 208 of file xc.F90.

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