Example: PIM: H2O on Ag2689

Download DIMQM_LOCAL.run

#! /bin/sh
$ADFBIN/adf <<eor
TITLE ['Local Dim Test']
basis
 Type TZP
 core None
end

atoms
O         0.016560    0.127604    0.000000
H         0.650009    0.566164    0.000000
H        -0.666568    0.484010    0.000000
end


DIMQM
 PIM
 LOCALDIM
 debug
 PRINTLJPAR
 niter 2000
 CutOffDist 50.0
END

DIMPAR
 Ag
  rad=1.4445
 SUBEND
 XYZ
$ADFHOME/examples/adf/DIMQM_LOCAL/ag2869.xyz
 SUBEND

END

symmetry nosym
allpoints

FullSCF

Beckegrid
 Quality good
end
xc
 Model SAOP
end

end input

eor