! FDMNES indata file.
! Calculation of the xanes and RXS spectra in magnetite extracting the tensorial scattering
! component already calculated in a previous step.
! Calculation contains the E1-E1 and E2-E2 components but not the E1-E2 one.

 Comment
   Iron K edge in magnetite, high temperature, without E1-E2

 Filout
xanout/test_stand/fe3o4_dd

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

 Green
 quadrupole
 nodipquad

 Radius
 3.0

 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

 Extract
xanout/test_stand/fe3o4_1_bav.txt
xanout/test_stand/fe3o4_2_bav.txt

 Absorbeur
   1 2

 Spgroup
  227:1

 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

 

