Re: Freq visualisation?

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Re: Freq visualisation?

From: Carles Bo Jane <bo_at_email.domain.hidden>
Date: Fri, 10 Nov 2000 13:07:21 +0100
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Hi Dave,

A freeware recipe is:

   - get the normal modes from an ADF outfile and create an animation
multi-xyz file. Program to do it: xvibs

   - visualize the animation. Programs to do it: Xmol, Jmol, CHIME, etc ...

A non freeware recipe : Cerius2, for instance, directly from an ADF.t21 file.

Hope it helps,

  Carles

>Dear Colleagues,
> What do people use to visualise ADF2000.02 results and in
>particular frequency calculations, painlessly?
> Cheers,
> Dave
>
>--
>------------------------------------------------------------------------
>
>Dr. David W. Price, Tel: +44 (0)118 9875123 extn 7415
>Department of Chemistry, Fax: +44 (0)118 9316331
>University of Reading, mailto:d.w.price_at_reading.ac.uk
>Whiteknights,
>READING
>http://www.chem.rdg.ac.uk/g50/mmrg/dave/dave.html
>RG6 6AD
>U.K.
>
>------------------------------------------------------------------------
>
________________________________________________________________

  Carles Bo
  Dept. de Quimica Fisica i Inorganica
  Universitat Rovira i Virgili Voice (34) 977 55 95 69
  Pl. Imperial Tarraco, 1 FAX (34) 977 55 95 63
  43005 - Tarragona
  SPAIN http://www.quimica.urv.es/~w3qfi
                       http://quimica.urv.es/cgi-bin/card?bo+qfi
________________________________________________________________
Received on 2000-11-10 17:32:03

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