Dear Tran Sir, I have read the method. I am finding it much difficult to comprehend specially how and why to modify the input files after creating the supercell. Plz explain if possible.
Thanking you, Yours sincerely Saurabh Samant Ph.D. candidate _______________________________________________ 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
