#!/bin/sh
cp $AMSHOME/examples/dftb/TECH_systeminput/*.xyz .
AMS_JOBNAME=bc_standard $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
Resourcesdir DFTB.org/mio-1-1
Model DFTB0
EndEngine
System
GeometryFile bc_standard.xyz
End
EOF
AMS_JOBNAME=bc_lattice1 $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
Resourcesdir DFTB.org/mio-1-1
Model DFTB0
EndEngine
System
GeometryFile bc_lattice1.xyz
End
EOF
AMS_JOBNAME=bc_lattice2 $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
Resourcesdir DFTB.org/mio-1-1
Model DFTB0
EndEngine
System
GeometryFile bc_lattice2.xyz
End
EOF
AMS_JOBNAME=bc_lattice3 $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
Resourcesdir DFTB.org/mio-1-1
Model DFTB0
EndEngine
System
GeometryFile bc_lattice3.xyz
End
EOF
AMS_JOBNAME=bc_lattice3_blanklines $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
Resourcesdir DFTB.org/mio-1-1
Model DFTB0
EndEngine
System
GeometryFile bc_lattice3_blanklines.xyz
End
EOF