! 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
Sim/Test_stand/Fe3O4_E1E1_E2E2

 Extract
Sim/Test_stand/Fe3O4_bav.txt


 Range
 -12. 0.1 -6. 0.2 -2.  0.5 20. 1. 30. 2. 60. 4. 100.    		  

 Green
 E2E2

 Radius
  3.0

 Self_abs
 Double_cor

 Rxs
  0 0 2 1 1 45.
  0 0 6 1 1 45.
  4 4 4 1 1  0.

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

 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

 Estart
  -50.

 End

 

