!------------------------------------------------------------------------------------
!> Summary: Density type
!> Author:
!> Category: KKRimp, physical-observables
!> Deprecated: False
!> Contains information of the density of each atom like e.g.:
!> the density matrix for both meshes
!> spin and orbital moments
!> directions of the spin moment, which defines the local frame
!------------------------------------------------------------------------------------
module type_density
use nrtype
TYPE :: DENSITY_TYPE
real(kind=dp),allocatable :: rho2ns(:,:,:) !! diagonal of the density matrix (1:nrmax,1:lmmax,2), in energyloop this is always weighted by the energy weight
double complex,allocatable :: rho2ns_complex(:,:,:) !! complex density matrix (1:nrmax,1:lmmax,nspinden), in energyloop this is always weighted by the energy weight
double complex,allocatable :: rho2ns_complexnew(:,:,:) !! complex density matrix in the new radial mesh (1:nrmaxnew,1:lmmax,nspinden), in energyloop this is always weighted by the energy weight
double complex,allocatable :: gflle(:,:,:) !! Energy- and lms,lms'-resolved GF lms1,lms2,ie ! lda+u
double complex,allocatable :: gfint(:,:) !! Integrated GF resolved in lms1,lms2 (integr. grlle) ! lda+u
double complex :: rho2ns_integrated(4) !! density integrated over r for all for all spin components
double complex :: rho2ns_integrated_scattering(4) !! integrated density for the multiple scattering part of the potential (R G R) used to speed up angular convergence as explained in Bauer, PhD page 113 orbital magnetic moment
double complex :: orbitalmom(3) !! orbital moment
double complex :: orbitalmom_lm(0:9,3) !! orbital moment lm expansion
double complex :: orbitalmom_sp(2,3) !! spherical part of the orbital moment
double complex :: orbitalmom_ns(3) !! non-spherical part of the orbital moment
real(kind=dp),allocatable :: ncharge(:,:) !! integrated denisty of states l-expansion (1:lmax,1:2)
complex(kind=dpc),allocatable :: den(:,:,:) !! complex density of states l=expansion (1:lmax,1:2,1:ne)
complex(kind=dpc),allocatable :: denlm(:,:,:) !! complex density of states lm-expansion for the diagonals of the density matrix (1:lmmax,1:2,1:ne)
real(kind=DP),allocatable :: RHOC(:,:) !! probably core density
real(kind=DP) :: theta !! polar angle of the magnetic moment towards z-axis, defines the local frame
real(kind=DP) :: phi !! azimuthal angle of the magnetic moment towards z-axis, defines the local frame
real(kind=DP) :: theta2 !! polar angle from the scattering part
real(kind=DP) :: phi2 !! azimuthal angle from the scattering part
real(kind=DP) :: thetaold !! polar angle of prev. iteration
real(kind=DP) :: phiold !! azimuthal angle of prev. iteration
integer :: magmomentfixed=1 !! keep the angle fixed within sc-cycle
real(kind=DP) :: magmoment(3) !! magnetic moment in the global frame
real(kind=DP) :: magmoment2(3) !! magnetic moment calculated from the scattering part
real(kind=DP) :: magmomentold(3) !! magnetic moment of the previous iteration in the global frame
real(kind=DP) :: magmomentold2(3) !! magnetic moment calculated from the scattering part of the previous iteration in the global frame
integer :: nangleconfigur !! in mode testflag calctmatfirstIte angle configurations are read in and set in each interationr nangleconfigur are the number of different energy configuarations
END TYPE DENSITY_TYPE
end module type_density
