This class contains information about the self-interaction correction. More...

Detailed Description

This class contains information about the self-interaction correction.

Definition at line 158 of file xc_sic.F90.

Public Attributes
integer, public	level = SIC_NONE
	what kind of self-interaction correction to apply More...

real(real64), public	amaldi_factor
	for Amaldi SIC scale the density by \((q_{tot}-1)/q_{tot}\) More...

type(xc_oep_t), public	oep
	The OEP class for solving the SIC equations. More...

Member Data Documentation

integer, public xc_sic_oct_m::xc_sic_t::level = SIC_NONE

what kind of self-interaction correction to apply

Definition at line 160 of file xc_sic.F90.

real(real64), public xc_sic_oct_m::xc_sic_t::amaldi_factor

for Amaldi SIC scale the density by \((q_{tot}-1)/q_{tot}\)

Definition at line 161 of file xc_sic.F90.

type(xc_oep_t), public xc_sic_oct_m::xc_sic_t::oep

The OEP class for solving the SIC equations.

Definition at line 162 of file xc_sic.F90.

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