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()
where
and
I t
c a l c u l a t e s
a l l
t h e
e l e m e n t s
o f
t h e
G r e e n
F u n c t i o n
o f
t h e
i m p u r i t y
c l u s t e r
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 |