Dear Michael, I have experiences similar problems before and found no solution, it seems that some information in the exp file becomes unreadable for gsas2cif and the program crashes. What I have done is generate a new (clean) .exp file from scratch, adding the refined phase as is in the final refinement, and the histograms, etc. again. That has allowed gsas2cif to work properly even in cases where multiple datasets and multiple phases were used.
Hope this helps. Leo Dr. Leopoldo Suescun Prof. Adj. de Física Tel: (+598 2) 9290705 Cryssmat-Lab./DETEMA Fax: (+598 2) 9241906 Facultad de Quimica, Universidad de la Republica ,_. | \ | v- ,' \ | ( \__Montevideo, Uruguay From: Wörle Michael [mailto:[EMAIL PROTECTED] Sent: Thursday, July 10, 2008 3:55 PM To: [email protected] Subject: FW: gsas2cif problem Dear EXPGUI-GSAS users, I have a problem when I try to generate a cif-file with gsas2cif: It will just print the general positions of the space group on the screen, but will not finish writing the cif-file. (the last entries are the atomic coordinates of the first phase and the number of elements in the unit cell). A process is still running, at about 98% of CPU (Im running windows XP). Has anyone an idea, what I can do? Any help is appreciated! Best regards, Michael Dr. Michael Wörle Laboratorium für Anorganische Chemie ETH Zürich HCI H103 Wolfgang-Pauli-Str. 10 CH-8093 Zürich Tel.: +41 44 632 5684 FAX: +41 44 632 1149 email: [EMAIL PROTECTED] http://www.inorg.chem.ethz.ch/solid/home.html Internal Virus Database is out of date. Checked by AVG - http://www.avg.com Version: 8.0.138 / Virus Database: 270.4.7/1542 - Release Date: 7/9/2008 6:50 AM
