mod_rotgll Module

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


Subroutines

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

License
Creative Commons License
Category
KKRhost

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Arguments

Type IntentOptional 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