Bob asked: > Miguel, do you have a simple example of an xyz file that specifies > vibration vectors?
Unfortunately not. There is a samples/xyz/cs2.xyz ... but I don't trust it ... I don't think it is correct. And the only way I would know how to create one is by looking at a gaussian file and creating the .xyz file by hand. Maybe someone else knows how to do this and could contribute a simple molecule with vibrations ... Miguel ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://productguide.itmanagersjournal.com/ _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
