Example: Static magnetizability: H2O
************************************

"Download H2O_magnet.run"

   #! /bin/sh


   # Basic example for a magnetizability calculation.

   # One should set iterations=0 for STATIC magnetizability. If one does not use
   # SYMMETRY NOSYM, one should set use ALLPOINTS for correct results in
   # AORESPONSE. 


   AMS_JOBNAME=Static $AMSBIN/ams <<eor
   System
     atoms
        O 0.0  0.0                 0.0
        H 0.0 -0.7569504380226135 -0.5858823657035828
        H 0.0  0.7569504380226135 -0.5858823657035828
     end
   end

   Task SinglePoint

   Engine ADF
     allpoints
     aoresponse
       alda
       magneticpert
       scf iterations 0  converge 1e-3
     end
     linearscaling 100
     end
     basis
       core None
       type DZP
     end
     xc
       gga revPBE
       lda
     end
   EndEngine
   eor

   AMS_JOBNAME=Frequency $AMSBIN/ams <<eor
   System
     atoms
        O 0.0  0.0                 0.0
        H 0.0 -0.7569504380226135 -0.5858823657035828
        H 0.0  0.7569504380226135 -0.5858823657035828
     end
   end

   Task SinglePoint

   Engine ADF
     allpoints
     aoresponse
       alda
       frequencies 0.182253 0.197012 [Hartree]
       magneticpert
       scf iterations 30  converge 1e-3
     end
     basis
       core None
       type DZP
     end
     linearscaling 100
     end
     xc
       gga revPBE
       lda
     end
   EndEngine
   eor
