! FDMNES indata file
! Calculation of xanes and RXS spectra in magnetite at the Fe K-edge.
! Unit mesh is described with the only non equivalent atoms and the use of
! the known space group.
! Multiple scattering calculation with quadrupole component and convolution.

 Filout
xanout/test_stand/fe3o4

 Range
 -12. 0.1 -6. 0.2 -2.  0.5 20. 1. 30. 2. 60.    		  

 Radius
  3.0

 Green
 quadrupole

 Rxs
  0 0 2 1 1 45.
  0 0 6 1 1 45.

 Atom
  26 3  3 2 5.5  4 0 2.  4 1 0.5 
   8 0

 Spgroup
  Fd-3m:1

 Crystal
  8.3940   8.3940   8.3940 90.0000   90.0000   90.0000   

  1      .6250      .6250      .6250    ! Fe 16d           
  1      .0000      .0000      .0000    ! Fe  8a
  2      .3800      .3800      .3800    ! O  32e

 Convolution

 End

