Detailed Description

Definition at line 188 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

type(xc_cam_t), public	cam
	Coulomb-attenuating method parameters for hybrid functionals. More...

type(xc_lrc_t), public	lrc
	Long-range corrected kernel. More...

logical, public	use_gi_ked
	should we use the gauge-independent kinetic energy density? More...

integer, public	xc_density_correction

logical, public	xcd_optimize_cutoff

real(real64), public	xcd_ncutoff

logical, public	xcd_minimum

logical, public	xcd_normalize

logical, public	parallel

type(internal_quantities_t), public	quantities

Private Member Functions
procedure	compute_exchange => xc_compute_exchange

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 190 of file xc.F90.

◆ flags

integer, public xc_oct_m::xc_t::flags

flags of the xc functional

Definition at line 191 of file xc.F90.

◆ kernel_family

integer, public xc_oct_m::xc_t::kernel_family

Definition at line 192 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 193 of file xc.F90.

◆ kernel

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

Definition at line 196 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 197 of file xc.F90.

◆ lrc

type(xc_lrc_t), public xc_oct_m::xc_t::lrc

Long-range corrected kernel.

Definition at line 198 of file xc.F90.

◆ use_gi_ked

logical, public xc_oct_m::xc_t::use_gi_ked

should we use the gauge-independent kinetic energy density?

Definition at line 200 of file xc.F90.

◆ xc_density_correction

integer, public xc_oct_m::xc_t::xc_density_correction

Definition at line 201 of file xc.F90.

◆ xcd_optimize_cutoff

logical, public xc_oct_m::xc_t::xcd_optimize_cutoff

Definition at line 202 of file xc.F90.

◆ xcd_ncutoff

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

Definition at line 203 of file xc.F90.

◆ xcd_minimum

logical, public xc_oct_m::xc_t::xcd_minimum

Definition at line 204 of file xc.F90.

◆ xcd_normalize

logical, public xc_oct_m::xc_t::xcd_normalize

Definition at line 205 of file xc.F90.

◆ parallel

logical, public xc_oct_m::xc_t::parallel

Definition at line 206 of file xc.F90.

◆ quantities

type(internal_quantities_t), public xc_oct_m::xc_t::quantities

Definition at line 208 of file xc.F90.

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

xc/xc.F90