From: Bob H. <ha...@st...> - 2004-12-17 17:42:08
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Ah, it appears vibration n simply sets the SPEED of the vibration, not the magnitude. NOW, it WOULD be nice to have the vibration speed as well, but magnitude is more important.... and I can't get vectors working. So this must have to do with the vector business. Bob Miguel wrote: > 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 > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson, ha...@st..., 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:ha...@st... http://www.stolaf.edu/people/hansonr "Imagination is more important than knowledge." - Albert Einstein |