ED_GREENS_FUNCTIONS.f90

MODULE ED_GREENS_FUNCTIONS
   USE ED_GF_SHARED
   USE ED_GF_NORMAL
   !USE ED_GF_CHISPIN
   !
   implicit none
   private

   public :: buildGf_impurity
   !public :: buildChi_impurity


   real(8),dimension(:,:,:),allocatable            :: zimp,simp


contains



   !+------------------------------------------------------------------+
   ! GF CALCULATIONS
   !+------------------------------------------------------------------+
   subroutine buildGF_impurity()
      !
      call allocate_grids
      !
      impGmats=zero
      impGreal=zero
      !
      impSmats = zero
      impSreal = zero
      !
      impG0mats=zero
      impG0real=zero
      !
      !
      write(LOGfile,"(A)")"Get impurity Greens functions:"
      call build_gf_normal()
      call build_sigma_normal()
      !
      if(MPIMASTER)then
         if(ed_print_Sigma)call ed_print_impSigma()
         if(ed_print_G)call ed_print_impG()
         if(ed_print_G0)call ed_print_impG0()
      endif
      !
      if(MPIMASTER)then
         allocate(simp(Nlat,Norb,Nspin),zimp(Nlat,Norb,Nspin))
         call get_szr()
         call write_szr()
         deallocate(simp,zimp)
      endif
      !
      call deallocate_grids
      !
   end subroutine buildgf_impurity








   !+------------------------------------------------------------------+
   ! SUSCEPTIBILITY CALCULATIONS
   !+------------------------------------------------------------------+
   !subroutine buildChi_impurity()
   !!
   !call allocate_grids
   !!
   !!
   !!BUILD SPIN SUSCEPTIBILITY
   !spinChi_tau=zero
   !spinChi_w=zero
   !spinChi_iv=zero
   !call build_chi_spin()
   !!
   !!
   !! !BUILD CHARGE SUSCEPTIBILITY
   !! densChi_tau=zero
   !! densChi_w=zero
   !! densChi_iv=zero
   !! densChi_mix_tau=zero
   !! densChi_mix_w=zero
   !! densChi_mix_iv=zero
   !! densChi_tot_tau=zero
   !! densChi_tot_w=zero
   !! densChi_tot_iv=zero
   !! call build_chi_dens()
   !!
   !!
   !! !BUILD PAIR SUSCEPTIBILITY
   !! pairChi_tau=zero
   !! pairChi_w=zero
   !! pairChi_iv=zero
   !! call build_chi_pair()
   !!
   !!
   !!PRINTING:
   !if(MPIMASTER)call ed_print_impChi()
   !!
   !!
   !call deallocate_grids
   !!
   !end subroutine buildChi_impurity




   !+-------------------------------------------------------------------+
   !PURPOSE  : get scattering rate and renormalization constant Z
   !+-------------------------------------------------------------------+
   subroutine get_szr()
      integer                  :: ilat,ispin,iorb
      real(8)                  :: wm1,wm2
      wm1 = pi/beta ; wm2=3d0*pi/beta
      do ilat=1,Nlat
         do ispin=1,Nspin
            do iorb=1,Norb
               simp(ilat,iorb,ispin) = dimag(impSmats(ilat,ilat,ispin,ispin,iorb,iorb,1)) - &
                  wm1*(dimag(impSmats(ilat,ilat,ispin,ispin,iorb,iorb,2))-dimag(impSmats(ilat,ilat,ispin,ispin,iorb,iorb,1)))/(wm2-wm1)
               zimp(ilat,iorb,ispin)   = 1.d0/( 1.d0 + abs( dimag(impSmats(ilat,ilat,ispin,ispin,iorb,iorb,1))/wm1 ))
            enddo
         enddo
      enddo
   end subroutine get_szr




   !+-------------------------------------------------------------------+
   !PURPOSE  : write observables to file
   !+-------------------------------------------------------------------+
   subroutine write_szr()
      integer :: unit
      integer :: iorb,jorb,ispin,ilat
      !
      open(free_unit(unit),file="zeta_info.ed")
      write(unit,"(A1,90(A10,6X))")"#",&
         ((reg(txtfy(iorb+(ispin-1)*Norb))//"z_"//reg(txtfy(iorb))//"s"//reg(txtfy(ispin)),iorb=1,Norb),ispin=1,Nspin)
      close(unit)
      !
      open(free_unit(unit),file="sig_info.ed")
      write(unit,"(A1,90(A10,6X))")"#",&
         ((reg(txtfy(iorb+(ispin-1)*Norb))//"sig_"//reg(txtfy(iorb))//"s"//reg(txtfy(ispin)),iorb=1,Norb),ispin=1,Nspin)
      close(unit)
      !
      do ilat=1,Nlat
         open(free_unit(unit),file="zeta_all"//reg(ed_file_suffix)//"_site"//str(ilat,3)//".ed",position='append')
         write(unit,"(90(F15.9,1X))")&
            ((zimp(ilat,iorb,ispin),iorb=1,Norb),ispin=1,Nspin)
         close(unit)
         open(free_unit(unit),file="zeta_last"//reg(ed_file_suffix)//"_site"//str(ilat,3)//".ed")
         write(unit,"(90(F15.9,1X))")&
            ((zimp(ilat,iorb,ispin),iorb=1,Norb),ispin=1,Nspin)
         close(unit)
         !
         open(free_unit(unit),file="sig_all"//reg(ed_file_suffix)//"_site"//str(ilat,3)//".ed",position='append')
         write(unit,"(90(F15.9,1X))")&
            ((simp(ilat,iorb,ispin),iorb=1,Norb),ispin=1,Nspin)
         close(unit)
         open(free_unit(unit),file="sig_last"//reg(ed_file_suffix)//"_site"//str(ilat,3)//".ed")
         write(unit,"(90(F15.9,1X))")&
            ((simp(ilat,iorb,ispin),iorb=1,Norb),ispin=1,Nspin)
         close(unit)
      enddo
      !
   end subroutine write_szr





end MODULE ED_GREENS_FUNCTIONS