setgijtab Subroutine

public subroutine setgijtab(linterface, icc, naez, iqat, rbasis, bravais, natomimp, atomimp, rclsimp, ijtabcalc, iofgij, jofgij, nqcalc, iqcalc, natomimpd, ijtabcalc_i)

Wrapper for the calculation of the elements of the Greens function $G_{ij}$ will calculate the pairs depending on wheter one wishes to calculate the conductivity of the pair-wise Heisenberg exchange interactions.

Arguments

Type	Intent	Optional	Attributes		Name
logical				::	linterface
integer				::	icc
integer				::	naez
integer				::	iqat(*)
real(kind=dp)				::	rbasis(3,*)
real(kind=dp)				::	bravais(3,3)
integer				::	natomimp
integer				::	atomimp(*)
real(kind=dp)				::	rclsimp(3,*)
integer				::	ijtabcalc(*)
integer				::	iofgij(*)
integer				::	jofgij(*)
integer				::	nqcalc
integer				::	iqcalc(*)
integer				::	natomimpd
integer				::	ijtabcalc_i(*)