Example: PIM: H2O on Ag2689¶

#! /bin/sh


$AMSBIN/ams <<eor
System
  atoms
     O         0.016560    0.127604    0.000000
     H         0.650009    0.566164    0.000000
     H        -0.666568    0.484010    0.000000
  end
end

Task SinglePoint

Engine ADF
  title ['Local Dim Test']
  allpoints
  beckegrid
    quality good
  end
  dimpar
     Ag
     rad=1.4445
     SUBEND
     XYZ
     $AMSHOME/examples/adf/DIMQM_LOCAL/ag2869.xyz
     SUBEND
  end
  dimqm
     PIM
     LOCALDIM
     debug
     PRINTLJPAR
     niter 2000
     CutOffDist 50.0
  end
  basis
    core None
    type TZP
  end
  symmetry nosym
  xc
    model SAOP
  end
  Relativity 
    Level None
  End
EndEngine

eor