Yordy, Bruce
Apparently Atoms doesn't like it that the beta angle in a monoclinic cell is 90 degrees. When I change the beta angle to 91 degrees or even 90.0001 (and change nothing else), Atoms runs normally. It's interesting that although Artemis says it has written a message nothing shows up in the messages palette but the echo palette does show that an error was caught. Carl ________________________________ From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Yordy Licea Fonseca Sent: Saturday, November 15, 2008 6:36 PM To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] about wolframite crystallographic file Hi all, As soon as I load this attached CIF crystallographic file from ISCD in Artemis0.8.012 the software says: "Artemis trapped one or more errors! Error message dumped to screen." I can`t go on runnig Atoms as it seems to be a problem with the file. I have read the suggestion made in FAQ, but I can not manage to find the error. Could you help me, please? It would be nice once the problem been fixed to add this structure to Matt's atoms.inp database. Thanks you very much, Yordy -- Yordy E. Licea Fonseca Departamento de Físico-Química Instituto de Química-IQ/UFRJ Laboratório de Catálise Heterogênea Rio de Janeiro, RJ, CEP 21.949-909 Brasil Email: [EMAIL PROTECTED]
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