Example: External potential at nuclei¶

#!/bin/sh

$AMSBIN/ams << eor

Task SinglePoint

Properties
   Gradients True
End

System
    Atoms
      H  0.0   0.0  0.0   DFTB.Vext=-0.01
      H  0.75  0.0  0.0   DFTB.Vext=0.01
    End
End

Engine DFTB
    Model SCC-DFTB
    ResourcesDir DFTB.org/mio-1-1
EndEngine

eor