! Indata file for the fdmnes program
! Calculation in Hematite to see the Finkelstein effect on the (111)sigma-pi reflection.
! The "spherical" keyword gives output files containing the contribution of each spherical tensor components
! on each reflections.


 Filout 
  Sim/Test_stand/Fe2O3

 Range
 -12.  0.1  2.  0.5  7. 1. 20. 2. 50.

 Green

 Radius
    3.0

 Quadrupole

 Density

 Spherical

 Convolution

 Estart
 -20.

 Self_abs      ! To perfom self-absorption correction

 RXS
  1 1 1   1 1  0. ! Sigma-Sigma; 0. is the azimuth.
  1 1 1   1 2     ! Sigma-Pi; Azimuthal scan is automaticaly performed because the azimuth is not specified 
  2 2 2   1 1  0. ! (2,2,2) is a not forbidden reflexion. 

 Crystal
    5.4135   5.4135   5.4135    55.283 55.283 55.283    / ax, ay, az, alfa, beta, gamma
 26  0.105    0.105    0.105       Fe
 26  0.395    0.395    0.395       Fe
 26  0.605    0.605    0.605       Fe
 26  0.895    0.895    0.895       Fe
  8  0.292    0.708    0.000       O 
  8  0.708    0.000    0.292       O 
  8  0.000    0.292    0.708       O 
  8  0.208    0.792    0.500       O 
  8  0.792    0.500    0.208       O 
  8  0.500    0.208    0.792       O 

  End






