On Thu, April 17, 2008 10:46 am, Bob Hanson wrote: > Note that I am defining temperature as > > (U11 + U22 + U33)/3.0 * 100 > > If this is not correct, please let me know. (I can't find where I read > that, and I don't know if I remember it correctly.) >
David Watkin prefers: Uequiv = (U1*U2*U3)**1/3 where U1 U2 & U3 are the principal axes of the ellipse (i.e. the eigenvalues of the full Uij tensor) Rich ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Don't miss this year's exciting event. There's still time to save $100. Use priority code J8TL2D2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
