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Re^3: geometry optimization in the presence of electric field

Alex Granovsky
gran@classic.chem.msu.su


Dear Patrick,

as suggested by Firefly:


> INTERNALS DO NOT WORK WITH THE $EFIELD FOR RUNTYP = OPTIMIZE

you should use Cartesian coordinates rather than internals
for optimization with electric field turned on:

$CONTRL NZVAR=33 $END

Kind regards,
Alex Granovsky


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