Oops! For B_i_j and Beta_i_j CIF files below read B_ij and Beta_ij. Alan. Alan Hewat said: > I have finally sorted out ICSD to search for papers reporting Uij, Bij, or > Betaij and to output these as CIF's. (Although Beta_i_j is not officially > defined as a CIF field, there are hundreds of older papers that use it, > and also B_i_j). For example the following will find 3-element > structures reporting Bij: > http://icsd.ill.fr/icsd/index.php?action=Search&elementc=3&remarks=AHT+Bij > Clicking on the resulting formulae should bring up the Jmol window with > default anisotropic ellipsoids. (The CIF file can be checked as usual from > the Jmol menu). > > The problem is that while it works for Uij with Jmol 11.5.37 when I > updated to 11.5.40 to try to get it to display Bij, the Jmol window never > finished loading. Even when I backtracked to 11.5.37 on the server, the > client still tried to use 11.5.40 until I opened the Java control panel > and cleared the Java cache. (I had also updated to the latest JRE v6 > update6 which didn't help). > > So, is there a problem with 11.5.40 or is it just my XP Java installation? > I guess Beta_i_j CIF files are not recognised even in 11.5.40, but as I > said, ICSD now finds hundreds of them :-) I would rather report the > original data than to convert them to Uij. > > Alan. ______________________________________________ Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE <[EMAIL PROTECTED]> +33.476.98.41.68 http://www.NeutronOptics.com/hewat ______________________________________________
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