#!/bin/sh

# With the EFIELD keyword you can specify a static electric field in the
# z-direction.

# == first run: field specified in a.u. ==

$ADFBIN/ams <<eor

Task SinglePoint

System
   lattice [Bohr]
      15.0 0.0  0.0
      0.0  15.0 0.0
   End
   Atoms [Bohr]
      H   0.0 0.0 0.0
      Li  0.0 1.0 3.0
   End
End

Properties
  Gradients True
End

Engine Band 
   Title Electric Field (field in a.u.)

   EField
      Unit a.u.
      eZ 0.03
   end

   KSpace 
      Quality GammaOnly
   End

   Basis
      Type TZP
      Core Large
   End
EndEngine
eor

rm -r ams.results

# == second run: field specified in Volt/Angstrom ==

$ADFBIN/ams <<eor

Task SinglePoint

System
   lattice [Bohr]
      15.0 0.0  0.0
      0.0  15.0 0.0
   End
   Atoms [Bohr]
      H   0.0 0.0 0.0
      Li  0.0 1.0 3.0
   End
End

Properties
  Gradients True
End

Engine Band 
   Title Electric Field (field in Volt/Angstrom)

   EField
      Unit Volt/Angstrom
      eZ -1
   End

   KSpace 
      Quality GammaOnly
   End

   Basis
      Type TZP
      Core Large
   End
EndEngine

eor