! Fdmnes indata file
! Calculation of DAFS for the Ga K-edge in hexagonal GaN
! in-plane diffraction 110
! Green method, small cluster

 Comment
 Ga K edge in GaN

 Filout
  xanout/test_stand/gan

 Energpho

 Range
   -15. 0.5 0. 1. 20. 2. 70 

 Radius
   3.0

 Green

 RXS
  1 1 0  1 1 90.

 Crystal
     3.187       3.187       5.186  90.  90.  120.  = a, b, c, alpha, beta, gamma
 31  0.0         0.0         0.0           
 31  0.33333333  0.66666667  0.5   
  7  0.00        0.00        0.375     
  7  0.33333333  0.66666667  0.875   

 Fprime
 Fprime_ato
 Convolution

 Efermi
 -6.

 End





