Example: Calculating the atomic forces
**************************************

"Download BNForce.run"

   #!/bin/sh 

   # This example shows how to calculate the gradient of the energy with respect to
   # nuclear displacements, by requesting Properties => Gradients Yes

   $AMSBIN/ams <<eor

   Task SinglePoint

   System
      Atoms 
       B   0.0     0.0     0.0 
       N   0.86544 0.86544 0.86544 
      end 
      Lattice  
        0.0 1.8 1.8 
        1.8 0.0 1.8 
        1.8 1.8 0.0  
      End
   End

   Properties
     Gradients Yes
   End

   Engine Band
      Title BN zincblende structure (force calculation)

      NumericalQuality Basic  ! for speed, not very accurate

      Basis
         Type TZ2P
         Core Large
      End

      Relativity
         Level None
      End
   EndEngine

   eor
