Example: Meta-GGA energy functionals: OH
****************************************

"Download OH_MetaGGA.run"

   #! /bin/sh


   AMS_JOBNAME=TPSSh $AMSBIN/ams <<eor
   System
     atoms
        O     0.000000    0.000000    0.108786
        H     0.000000    0.000000   -0.870284
     end
   end

   Task SinglePoint

   Engine ADF
     title OH radical, C*v symm. MP2(full)/6-31G* Geom. MP2=-75.5232063
     dependency
       bas 1.0e-4
     end
     irrepoccupations
        A1 3 // 3
        A2 0 // 0
        B1 1 // 1
        B2 1 // 0
     end
     metagga
     basis
       type ET/ET-QZ3P
     end
     noprint BAS FIT FUNCTIONS SFO
     numericalquality VeryGood
     spinpolarization 1
     symmetry C(2V)
     unrestricted
     xc
       metahybrid TPSSh
     end
   EndEngine
   eor


   AMS_JOBNAME=TPSS $AMSBIN/ams <<eor
   System
     atoms
        O     0.000000    0.000000    0.108786
        H     0.000000    0.000000   -0.870284
     end
   end

   Task SinglePoint

   Engine ADF
     title OH radical, C*v symm. MP2(full)/6-31G* Geom. MP2=-75.5232063
     dependency
       bas 1.0e-4
     end
     hartreefock
     irrepoccupations
        A1 3 // 3
        A2 0 // 0
        B1 1 // 1
        B2 1 // 0
     end
     metagga
     basis
       type ET/ET-QZ3P
     end
     noprint BAS FIT FUNCTIONS SFO
     numericalquality VeryGood
     spinpolarization 1
     symmetry C(2V)
     unrestricted
     xc
       metagga SCF TPSS
     end
   EndEngine
   eor

   $AMSBIN/dirac -n1 < $AMSRESOURCES/Dirac/H
   mv TAPE12 t12.rel

   AMS_JOBNAME=H_HF $AMSBIN/ams <<eor
   System
     Atoms
       H 0.0 0.0 0.0
     End
   End
   Task SinglePoint
   Engine ADF
     create H file=$AMSRESOURCES/ADF/ET/ET-QZ3P/H
     hartreefock
     xc
       gga PBE
     end
     corepotentials t12.rel
        H 1
     end
   EndEngine
   eor

   $AMSBIN/dirac -n1 < $AMSRESOURCES/Dirac/O
   mv TAPE12 t12.rel


   AMS_JOBNAME=O_HF $AMSBIN/ams <<eor
   System
     Atoms
       O 0.0 0.0 0.0
     End
   End
   Task SinglePoint
   Engine ADF
     create O file=$AMSRESOURCES/ADF/ET/ET-QZ3P/O
     hartreefock
     xc
       gga PBE
     end
     corepotentials t12.rel
        O 1
     end
   EndEngine
   eor


   AMS_JOBNAME=H_HF_unr $AMSBIN/ams <<eor
   System
     atoms
        H     0.0    0.0    0.0
     End
   End

   Task SinglePoint

   Engine ADF
     title H unrestricted correction
     fragments
        H H_HF.results/adf.rkf
     end
     hartreefock
     metagga
     numericalquality VeryGood
     spinpolarization 1
     unrestricted
     xc
       gga PBE
     end
   EndEngine
   eor


   AMS_JOBNAME=O_HF_unr $AMSBIN/ams <<eor
   System
     atoms
        O     0.0    0.0    0.0
     end
   end

   Task SinglePoint

   Engine ADF
     title O unrestricted correction
     fragments
        O O_HF.results/adf.rkf
     end
     hartreefock
     irrepoccupations
        sigma  3 // 3
        pi     2 // 0
     end
     metagga
     numericalquality VeryGood
     spinpolarization 2
     symmetry C(lin)
     unrestricted
     xc
       gga PBE
     end
   EndEngine
   eor


   AMS_JOBNAME=OH_HF $AMSBIN/ams <<eor
   System
     atoms
        O     0.000000    0.000000    0.108786
        H     0.000000    0.000000   -0.870284
     end
   end
   Task SinglePoint

   Engine ADF
     title OH radical, C*v symm. MP2(full)/6-31G* Geom. MP2=-75.5232063
     dependency
       bas 1.0e-4
     end
     energyfrag
        O  O_HF_unr.results/adf.rkf
        H  H_HF_unr.results/adf.rkf
     end
     fragments
        O  O_HF.results/adf.rkf
        H  H_HF.results/adf.rkf
     end
     hartreefock
     irrepoccupations
        A1 3 // 3
        A2 0 // 0
        B1 1 // 1
        B2 1 // 0
     end
     metagga
     noprint BAS FIT FUNCTIONS SFO
     numericalquality VeryGood
     spinpolarization 1
     symmetry C(2V)
     unrestricted
     xc
       gga PBE
     end
   EndEngine
   eor

   $AMSBIN/dirac -n1 < $AMSRESOURCES/Dirac/H
   mv TAPE12 t12.rel


   AMS_JOBNAME=H_OLYP $AMSBIN/ams <<eor
   System
     atoms
        H     0.0    0.0    0.0
     End
   End
   Task SinglePoint
   Engine ADF
     create H file=$AMSRESOURCES/ADF/ET/ET-QZ3P/H
     hartreefock
     xc
       gga OLYP
     end
     corepotentials t12.rel
        H 1
     end
   EndEngine
   eor

   $AMSBIN/dirac -n1 < $AMSRESOURCES/Dirac/O
   mv TAPE12 t12.rel

   AMS_JOBNAME=O_OLYP $AMSBIN/ams <<eor
   System
     atoms
        O     0.0    0.0    0.0
     End
   End
   Task SinglePoint
   Engine ADF
     create O file=$AMSRESOURCES/ADF/ET/ET-QZ3P/O
     hartreefock
     xc
       gga OLYP
     end
     corepotentials t12.rel
        O 1
     end
   EndEngine
   eor


   AMS_JOBNAME=H_OLYP_unr $AMSBIN/ams <<eor
   System
     atoms
        H     0.0    0.0    0.0
     end
   end

   Task SinglePoint

   Engine ADF
     title H unrestricted correction
     fragments
        H H_OLYP.results/adf.rkf
     end
     hartreefock
     metagga
     numericalquality VeryGood
     spinpolarization 1
     unrestricted
     xc
       gga OLYP
     end
   EndEngine
   eor

   AMS_JOBNAME=O_OLYP_unr $AMSBIN/ams <<eor
   System
     atoms
        O     0.0    0.0    0.0
     end
   end

   Task SinglePoint

   Engine ADF
     title O unrestricted correction
     fragments
        O O_OLYP.results/adf.rkf
     end
     hartreefock
     irrepoccupations
        sigma  3 // 3
        pi     2 // 0
     end
     metagga
     numericalquality VeryGood
     spinpolarization 2
     symmetry C(lin)
     unrestricted
     xc
       gga OLYP
     end
   EndEngine
   eor


   AMS_JOBNAME=OH_OLYP $AMSBIN/ams <<eor
   System
     atoms
        O     0.000000    0.000000    0.108786
        H     0.000000    0.000000   -0.870284
     end
   end

   Task SinglePoint

   Engine ADF
     title OH radical, C*v symm. MP2(full)/6-31G* Geom. MP2=-75.5232063
     dependency
       bas 1.0e-4
     end
     energyfrag
        O  O_OLYP_unr.results/adf.rkf
        H  H_OLYP_unr.results/adf.rkf
     end
     fragments
        O  O_OLYP.results/adf.rkf
        H  H_OLYP.results/adf.rkf
     end
     hartreefock
     irrepoccupations
        A1 3 // 3
        A2 0 // 0
        B1 1 // 1
        B2 1 // 0
     end
     metagga
     noprint BAS FIT FUNCTIONS SFO
     numericalquality VeryGood
     spinpolarization 1
     symmetry C(2V)
     unrestricted
     xc
       gga OLYP
     end
   EndEngine
   eor
