Example: Graphene sheet with dispersion correction
**************************************************

"Download Graphene_Dispersion.run"

   #! /bin/sh

   # A normal GGA would give only negligible interaction between two graphene
   # sheets.

   # Use the dispersion option in the XC key block.

   # In the first run we use BP86-D, in the second BLYP-D3 and in the third run
   # BLYP-D3(BJ).

   # == First run: dispersion default ==

   AMS_JOBNAME=default $AMSBIN/ams <<eor

   Task SinglePoint

   System
      GeometryFile $AMSHOME/examples/band/Graphene_Dispersion/Graphene_double_layer.xyz
   End

   Engine Band 
      XC
         gga scf bp86
         dispersion default
      End

      NumericalQuality Basic

      Basis
         Type TZP
         Core Large
      End
   EndEngine
   eor

   # == Second run: dispersion Grimme3 ==

   AMS_JOBNAME=grimme3 $AMSBIN/ams <<eor

   Task SinglePoint

   System
      GeometryFile $AMSHOME/examples/band/Graphene_Dispersion/Graphene_double_layer.xyz
   End

   Properties
     Gradients True
   End

   Engine Band 
      Output
         Print Section=Properties Level=Detail
      End

      XC
         gga scf blyp
         dispersion Grimme3
      end

      NumericalQuality Basic

      Basis
         Type TZP
         Core Large
      End
   EndEngine
   eor

   # == Third run: dispersion Grimme3 bjdamp ==

   AMS_JOBNAME=grimme3_bjdamp $AMSBIN/ams <<eor

   Task SinglePoint

   System
      GeometryFile $AMSHOME/examples/band/Graphene_Dispersion/Graphene_double_layer.xyz
   End

   Properties
     Gradients True
   End

   Engine Band 
      Output
         Print Section=Properties Level=Detail
      End

      XC
         gga scf blyp
         dispersion Grimme3 bjdamp
      end

      NumericalQuality Basic

      Basis
         Type TZP
         Core Large
      End
   EndEngine
   eor
