#!/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