! Indata file for Fdmnes

Comment
Iron K edge in magnetite, high temperature

Fileout
example/fe3o4/fe3o4_out

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

Radius
3.0

Green

Quadrupole

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

Spgroup
Fd-3m:1

Crystal
8.3940   8.3940   8.3940 90.0000   90.0000   90.0000   
1      .6250      .6250      .6250    ! Fe 16d           
2      .0000      .0000      .0000    ! Fe  8a
3      .3800      .3800      .3800    ! O  32e

Arc

Efermi
-9.4

End
