Example: Diamond under pressure
*******************************

"Download Diamond_under_pressure.run"

   #! /bin/sh

   # Calculate the phonon dispersion curves for diamond under pressure.

   # Loop over pressure values (in GPa):
   for P in -40 0 40 160 ; do
   AMS_JOBNAME=pressure_$P $AMSBIN/ams << EOF

      Task GeometryOptimization

      System
          Atoms
              C -0.44625 -0.44625 -0.44625
              C  0.44625  0.44625  0.44625
          End
          Lattice
              0.0    1.785  1.785
              1.785  0.0    1.785
              1.785  1.785  0.0
          End
      End

      GeometryOptimization
          OptimizeLattice Yes
          Convergence Gradients=1e-5 StressEnergyPerAtom=1E-5
          Method Quasi-Newton
      End

      EngineAddons
          Pressure $P
      End

      Properties
          # Request the calculation of phonons at the optimized geometry.
          Phonons Yes
      End

      NumericalPhonons
          SuperCell
              2 0 0
              0 2 0
              0 0 2
          End
      End

      Engine DFTB
          Model SCC-DFTB
          ResourcesDir DFTB.org/mio-1-1
          KSpace
              Type Symmetric
              Symmetric KInteg=5
          End
          Technical AnalyticalStressTensor=False
      EndEngine

   EOF
   done
