#! /bin/sh


AMS_JOBNAME=nosym $AMSBIN/ams << eor

Task SinglePoint

Properties
   NormalModes true
End

System
  Atoms
     H -0.4 0 0.1
     H 0.4 0 -0.1
  End

  Lattice
       2.645886  0        0
       0        2.645886  0
  End
End

Engine DFTB
   Model SCC-DFTB
   ResourcesDir Dresden
   useSymmetry no
   Repulsion
       forcePolynomial true
   End
   KSpace
       Type Symmetric
       Symmetric KInteg=3
   End
EndEngine

eor


AMS_JOBNAME=sym $AMSBIN/ams << eor

Task SinglePoint

Properties
   NormalModes true
End

System
  Atoms
     H -0.4 0 0.1
     H 0.4 0 -0.1
  End

  Lattice
       2.645886  0        0
       0        2.645886  0
  End
End

Engine DFTB
   Model SCC-DFTB
   ResourcesDir Dresden
   Repulsion
       forcePolynomial true
   End
   KSpace
       Type Symmetric
       Symmetric KInteg=3
   End
EndEngine

eor