Dear P.Blaha and Wien2k Users, My case is orthorhombic and I used the option 6 of the optimization in which the A,B and C vary (3D-case) ,after the termination of the calculations i should choise only the valeus of A,B and C that give the minimal energy , my question does it sufficient or i should do also another criteria like the options 3 and/or 4? thanks sufyan naji -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120319/daa46ce4/attachment.htm>
