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singularity.F90 File Reference

Go to the source code of this file.

Modules

module  singularity_oct_m
 

Data Types

type  singularity_oct_m::singularity_t
 Treatment of the singularity in solids. More...
 

Functions/Subroutines

subroutine, public singularity_oct_m::singularity_init (this, namespace, space, st, kpoints)
 
subroutine, public singularity_oct_m::singularity_end (this)
 
real(real64) function singularity_oct_m::singularity_kernel_value (this, ik)
 Value of the exchange kernel at \(q+G = 0\) for the k-point ik. More...
 
subroutine singularity_oct_m::singularity_correction (this, namespace, space, st, kpoints)
 This routine implements the general treatment of the singularity for periodic solids, as described in Carrier et al. PRB 75, 205126 (2007) More...
 
real(real64) function aux_funct (qq)
 

Variables

integer, parameter, public singularity_oct_m::singularity_none = 0
 
integer, parameter, public singularity_oct_m::singularity_general = 1
 
integer, parameter, public singularity_oct_m::singularity_gygi = 2
 
integer, parameter, public singularity_oct_m::singularity_sphere = 3
 

Function/Subroutine Documentation

◆ aux_funct()

real(real64) function singularity_correction::aux_funct ( real(real64), dimension(space%dim), intent(in)  qq)
private

Definition at line 488 of file singularity.F90.