! Indata file for the fdmnes program
! Calculation in Hematite 

 Filout 
  Sim/Test_stand/Fe2O3_hub

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

 Green

 Radius
    3.0

 Quadrupole

 Density

 Hubbard
  5.

 RXS
 1 1 1   1 2 0.
 2 2 2   1 1 0.

  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 

 Convolution

  End






