No, you can forget about this message. It is just some internal information and should remind you that you have a monoclinic structure.
Am 13.04.2015 um 16:29 schrieb Daniel Menendez:
The unit cell positions were generated correctly applying your suggestion. When I execute "x symmetry" the output message says: gamma not equal 90 alpha(3) .gt. 91.0; reset to 90.1 but thestruct file has gamma=169.6. Should I bother about this message? Thank you so much, Daniel _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pbl...@theochem.tuwien.ac.at ----------------------------------------- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html