Example: EFG
************

"Download SnO_EFG.run"

   #!/bin/sh

   # The calculation of the electric field gradient is invoked by the EFG key
   # block.

   # Since Sn is quite an heavy atom we use the scalar relativistic option.

   $AMSBIN/ams <<eor

   Task SinglePoint

   System
      FractionalCoords True

      Lattice
         3.8029  0.0  0.0
         0.0  3.8029  0.0
         0.0  0.0  4.8382
      End

      Atoms 
         O   0.0  0.0  0.0
         O   0.5  0.5  0.0
         Sn  0.0  0.5  0.2369
         Sn  0.5  0.0 -0.2369
      End
   End

   Engine Band 
      Title SnO EFG

      NumericalQuality Basic ! Only for speed

      Tails bas=1e-8 ! Only for reproducibility with nr. of cores

      ! useful for Moessbauer spectroscopy: density and coulomb pot. at nuclei
      PropertiesAtNuclei
      End

      EFG
         Enabled True
      End

      Basis
         Type DZ
         Core none
      End
   EndEngine
   eor

