Dear Wien2k Users I am doing non spin polarized calculation. In this calculation, DOS and Band structure are not consistent with each other. DOS shows that it has some band gap but in band structure it shows that it is metallic. I don't know what is the problem in this and why DOS and Band structure is inconsistent with each other. i expect that DOS is correct but something is wrong with band structure.
If any one of you give any suggestion that how i can solve this problem. I will be very thankful to you. Best Regards Arqum Hashmi -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120406/369a4ca0/attachment.htm>
