Example: Basis set and integration accuracy convergence test: Methane
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"Download ConvergenceTestCH4.run"

   #! /bin/sh


   # In this example you will find how to use amsprep to test convergence of the
   # bonding energy with respect to basis set and integration accuracy. amsreport
   # is used to collect the resulting bonding energies.

   rm -f runset
   for b in SZ DZ DZP TZP TZ2P QZ4P
   do
       "$AMSBIN/amsprep" -t "$AMSHOME/examples/adf/ConvergenceTestCH4/methane.ams" -b $b -j methane.$b>> runset
   done

   chmod +x runset
   ./runset

   echo Results
   echo Basis set convergence of Bonding Energy, SZ DZ DZP TZP TZ2P QZ4P
   for b in SZ DZ DZP TZP TZ2P QZ4P
   do
       "$AMSBIN/amsreport" "methane.$b.results/adf.rkf" BondingEnergy
   done

   rm -f runset
   for i in 2 3 4 5
   do
       "$AMSBIN/amsprep" -t "$AMSHOME/examples/adf/ConvergenceTestCH4/methane.ams" -b DZP -i $i -j methane.$i>> runset
   done
   "$AMSBIN/amsprep" -t "$AMSHOME/examples/adf/ConvergenceTestCH4/methane.ams" -b DZP -i Basic -j methane.bb>> runset
   "$AMSBIN/amsprep" -t "$AMSHOME/examples/adf/ConvergenceTestCH4/methane.ams" -b DZP -i Normal -j methane.bn>> runset
   "$AMSBIN/amsprep" -t "$AMSHOME/examples/adf/ConvergenceTestCH4/methane.ams" -b DZP -i Good -j methane.bg>> runset
   "$AMSBIN/amsprep" -t "$AMSHOME/examples/adf/ConvergenceTestCH4/methane.ams" -b DZP -i VeryGood -j methane.bv>> runset
   "$AMSBIN/amsprep" -t "$AMSHOME/examples/adf/ConvergenceTestCH4/methane.ams" -b DZP -i Excellent -j methane.be>> runset

   chmod +x runset
   ./runset

   echo Integration convergence of Bonding Energy, 2 3 4 5
   for i in 2 3 4 5
   do
       "$AMSBIN/amsreport" "methane.$i.results/adf.rkf" BondingEnergy
   done

   echo Integration Becke convergence of Bonding Energy, Basic, Normal, Good, VeryGood, Excellent
   "$AMSBIN/amsreport" "methane.bb.results/adf.rkf" BondingEnergy
   "$AMSBIN/amsreport" "methane.bn.results/adf.rkf" BondingEnergy
   "$AMSBIN/amsreport" "methane.bg.results/adf.rkf" BondingEnergy
   "$AMSBIN/amsreport" "methane.bv.results/adf.rkf" BondingEnergy
   "$AMSBIN/amsreport" "methane.be.results/adf.rkf" BondingEnergy

   echo Ready
