! Fdmnes indata file
! Calculation for the copper K-edge in copper cfc
! Finite difference method calculation with convolution

 Filout
   xanout/test_stand/cu

 Range                        ! Energy range of calculation (eV)
 -10. 0.2  0. 0.5 10. 1. 40.  ! first energy, step, intermediary energy, step ..., last energy    

 Radius                       ! Radius of the cluster where final state calculation is performed
   3.0                        ! For a good calculation, this radius must be increased up to 6 or 7 Angstroems

 Crystal                      ! Periodic material description (unit cell)
     3.61  3.61  3.61  90. 90. 90.  ! a, b, c, (Angstroem) alpha, beta, gamma (degree)
 29  0.0   0.0   0.0                ! Z, x, y, z (unit cell unit)
 29  0.5   0.5   0.0    
 29  0.5   0.0   0.5    
 29  0.0   0.5   0.5   

! Convolution keyword : broadening with a width increasing versus energy as an arctangent

 Convolution 


 End


