rotgll Subroutine

public subroutine rotgll(gmatll, natomimp, ijtabsym, ijtabsh, dsymll, symunitary, igf, rc, crel, rrel, krel, lmmaxd, irec)

It calculates all the elements of the Green Function of the impurity cluster using the GF calculated for the representative pairs. The representative pair and the symmetry operation D are given through the arrays IJTABSH and IJTABSYM set up in SHELLGEN2K() $$\begin{equation} G^{nm,n'm'}_{L,L'}(E)=\sum_{L_1,L_2} D_{L,L_1}^T G_{L_1,L_2}^{nm,n'm'}(E) D_{L_2,L'} \end{equation}$$ where $$\begin{equation} DR^n_m=R^n_m \end{equation}$$ and $$\begin{equation} DR^{n'}_m=R^{n'}_m \end{equation}$$

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=dp)				::	gmatll(lmmaxd,lmmaxd,*)
integer				::	natomimp
integer				::	ijtabsym(*)
integer				::	ijtabsh(*)
complex(kind=dp)				::	dsymll(lmmaxd,lmmaxd,*)
logical				::	symunitary(*)
integer				::	igf
complex(kind=dp)				::	rc(lmmaxd,lmmaxd)
complex(kind=dp)				::	crel(lmmaxd,lmmaxd)
complex(kind=dp)				::	rrel(lmmaxd,lmmaxd)
integer				::	krel
integer				::	lmmaxd
integer				::	irec