type_cellnew.f90 Source File

!------------------------------------------------------------------------------------
!> Summary: Cell type for the new radial mesh
!> Author: David Bauer
!> Category: KKRimp, geometry, new-mesh
!> Deprecated: False 
!> Cell information using intervals containing expansions in Chebyshev polynomials.
!------------------------------------------------------------------------------------
module type_cellnew
use nrtype
 TYPE                             ::  CELL_TYPENEW
 real(kind=dp),allocatable        ::  vpotnew(:,:,:)       !! potential for the Cheb. mesh
 real(kind=dp),allocatable        ::  shapefun(:,:)        !! shape function for Cheb. mesh only constructed if testflag('write_rho2nscompnew') is called
 integer,allocatable              ::  shapefun_lm2index(:) !! shape function : lm value -> array index
 !integer                          :: use_spinorbit=1      !! spin-orbit coupling used for the 0->no, 1->yes
! integer                          :: use_spinorbit        !! spin-orbit coupling used for the 0->no, 1->yes
 integer                          :: ncheb                 !! maximum number of Chebyshev expansion fn used
 real(kind=dp),allocatable        :: rpan_intervall(:)     !! larger boundary value for panel m, rpan_intervall(0) is smaller boundary value for 1st panel
 integer,allocatable              :: ipan_intervall(:)     !! larger index for the potential and shape function array vpotnew(ipan_intervall(1)) last potential value for first panel
 real(kind=dp),allocatable        :: rmeshnew(:)           !! radial mesh containing mesh points for each panel
 integer                          :: npan_log              !! number of panel in the logarithmic region
 integer                          :: npan_eq               !! number of panel in the equidistant region
 integer                          :: npan_inst             !! number of panel in the interstitial region
 integer                          :: npan_tot              !! total number of panel (npan_* summed up)
 integer                          :: nrmaxnew              !! number of mesh points for each cell
 END TYPE CELL_TYPENEW

end module type_cellnew