Example: NMR Chemical Shifts, SAOP potential: CH4
*************************************************

"Download CH4_SAOP.run"

   #! /bin/sh


   # Computation of the NMR chemical shifts for CH4, with the model potential
   # SAOP.

   # Important: use SAVE TAPE10. This is necessary for SAOP, since the nmr program
   # does not know about SAOP or other model potentials. On TAPE10 the SCF
   # potential is written, which is read in by the nmr program.

   # Note: For SAOP one needs an all-electron basis set (i.e. Core None)


   $AMSBIN/ams <<eor
   System
     atoms
        C  0                   0                   0
        H  0.6264250420707439  0.6264250420707439  0.6264250420707439
        H  0.6264250420707439 -0.6264250420707439 -0.6264250420707439
        H -0.6264250420707439  0.6264250420707439 -0.6264250420707439
        H -0.6264250420707439 -0.6264250420707439  0.6264250420707439
     end
   end

   Task SinglePoint

   Engine ADF
     basis
       type TZ2P
       core None
     end
     save TAPE10
     xc
       model saop
     end
   EndEngine
   eor

   $AMSBIN/nmr <<eor
     adffile ams.results/adf.rkf
     tape10file ams.results/TAPE10
     NMR
       Out  TENS
       Nuc  1  2
     End
   eor
