Siddheshwar Chopra
sidhusai@gmail.com
Regards,
On Wed Jan 2 '13 3:15pm, Luca Maidich wrote
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>Dear Siddheshwar,
>you're right, the formula is 3N-5 for linear systems and 3N-6 for others, where N is the number of atoms. I think I read somewhere (but don't remember where, I'm sorry) that it's not compulsory to use the exact number it is sufficient to use something different than 1 or 0...by the way, as I said before, I think that using the right number is a good practice :)
>Kind Regards
>Luca
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