anchor.diff:       if(comm_is_root())write(*,*)'Warning !! 2D calculation ! TwoD_shape is not good'
        TwoD_shape='periodic'
     end if
  +
  +  if(functional=='TBmBJ' .or. propagator=='etrs')call err_finalize('invalid functional or propagator.')
  +
  +  
   
   !sym ---
     select case(crystal_structure)
  
positive.code:     end if
      call timer_end(LOG_OTHER)
  
      if (AD_RHO /= 'No' .and. mod(iter,100) == 0 ) then 
        call timer_begin(LOG_ALLREDUCE)
        call comm_summation(excited_electron_l,excited_electron,NX_m*NY_m,proc_group(1))
        call timer_end(LOG_ALLREDUCE)
        if(comm_is_root(1))call write_excited_electron(iter)
      else if (iter == Nt ) then
        call timer_begin(LOG_ALLREDUCE)
        call comm_summation(excited_electron_l,excited_electron,NX_m*NY_m,proc_group(1))
        call timer_end(LOG_ALLREDUCE)
        if(comm_is_root(1))call write_excited_electron(iter)
      end if
  
      call timer_begin(LOG_OTHER)
      if (reentrance_switch == 1) then 
  
negative.code: 
    deallocate(rho_in,rho_out)
    deallocate(Eall_GS,esp_var_ave,esp_var_max,dns_diff)
    deallocate(zu_GS,zu_GS0)
  !====GS calculation============================
  
  #ifdef ARTED_LBLK
  