Alex Granovsky
gran@classic.chem.msu.su
add
$contrl inttyp=hondo $end
to your input.
Kind regards,
Alex Granovsky
On Fri Dec 6 '13 0:14am, guilherme wrote
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>Hi guys, I have a problem to calculate the TDDFt of benzoic acid. I ran the same processess to benzene and piridine but fot the benzoic acid the calculate don't converged.
>Please, take a look in my input and output.