Dear Wien2k users, Does the energy of a system should depend on how many symmetry operations I am using for the calculation even if the number of k-points in the full Brillouin zone is same for all cases? I mean if I do a calculation with 4 symmetry operations and 100 k points in the full zone and repeat the calculation with no symmetry with 100 k points, should I get the same energy or not?
Thanks, Fhokrul _________________________________________________________________ Hotmail: Trusted email with Microsoft?s powerful SPAM protection. https://signup.live.com/signup.aspx?id=60969 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100428/f089ef2e/attachment-0001.htm>