Author Topic: disable "file=vibspectrum"  (Read 3982 times)

peiden

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disable "file=vibspectrum"
« on: August 02, 2012, 04:11:33 PM »
Hi,
is there an option to disable the setting "file=vibspectrum"? I really would like to have this output in my control file (as it has happened with older TURBOMOLE versions).
Thank you and kind regards,
Philipp Eiden

Arnim

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Re: disable "file=vibspectrum"
« Reply #1 on: August 07, 2012, 04:04:52 PM »
Hi,

you just have to write
$vibrational spectrum
in the control file before running aoforce.

Cheers,

Arnim