rhoval_new Subroutine

public subroutine rhoval_new(eryd, ie, wez, cellnew, wavefunction, cell, gmatll, iatom, ispin, nspin, shapefun, gauntcoeff, zatom, density, lmaxatom, lmmaxatom, config, lmaxd, energyparts, kspinorbit, use_fullgmat, nspinden, efermi, ldau)

Define the prefactor for the greens function THE DEFINITION USED HERE DIFFERS BY A FACTOR OF (1.0D0+eryd/ (cvlight*cvlight)) from the other Juelich KKR codes

if the wavefunctions are stored in memory, then there is no need to recalculate them

Arguments

Type IntentOptional Attributes Name
complex(kind=dp), intent(in) :: eryd
integer, intent(in) :: ie
complex(kind=dp), intent(in) :: wez
type(CELL_TYPENEW), intent(in) :: cellnew
type(wavefunction_type), intent(in) :: wavefunction
type(cell_type), intent(in) :: cell
complex(kind=dp), intent(in) :: gmatll(:,:)
integer, intent(in) :: iatom
integer, intent(in) :: ispin
integer, intent(in) :: nspin
type(shapefun_type), intent(in) :: shapefun
type(gauntcoeff_type), intent(in) :: gauntcoeff
real(kind=dp), intent(in) :: zatom
type(DENSITY_TYPE), intent(inout) :: density
integer, intent(in) :: lmaxatom
integer, intent(in) :: lmmaxatom
type(config_type), intent(in) :: config
integer, intent(in) :: lmaxd
type(ENERGYPARTS_TYPE), intent(inout) :: energyparts
integer, intent(in) :: kspinorbit
integer, intent(in) :: use_fullgmat
integer, intent(in) :: nspinden
real(kind=dp), intent(in) :: efermi
type(ldau_type), intent(in) :: ldau

lda+u variables