a question regarding Mopac & polarizabilities
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Hi,
I'm using Mopac 7.01 and am trying to calculate polarizabilities. I am a
little confused by the instructions in the manual - does the end of the deck
mean the end of the mopac input file or the line after the keyword line.
Further more I only need the linear polarizability (alpha) - and I am unsure
of what values I need to fill up for Nfreq etc.
I would be very grateful if somebody could provide an example of the setup for
a polarizability calculation
TIA,
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Rajarshi Guha | email: rajarshi at.at presidency.com
417 Davey Laboratory | web : http-:-// www.jijo.cjb.net
Dept. Of Chemistry | ICQ : 123242928
Pennsylvania State University | AIM : LoverOfPanda
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After a number of decimal places, nobody gives a damn.
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