Dear prof. Peter Blaha I am facing a problem in x sgroup of orthombhic phase CaTiO3, space group 62 Pbnm. Please suggest Jameson Maibam -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121003/d80edc81/attachment.htm>