Dear Prof. Blaha, It is solved by means of your advice. Thanks Battal Gazi Yalcin Sakarya University Department of Physics Sakarya TURKEY -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151012/9f6868d2/attachment.html>