Dear Giuseppe Thanks for your reply. In Bulk ZnO with GGA ,i have 1.2 eV Gap but in the slab it is approximately disappeared. What is wrong with ZnO surface?I dont know why in calculation of surface ,the gap is disappeared. Best Regards meysam -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110219/31f2f585/attachment.htm
- [Pw_forum] ZnO(1010) surface BandGap meysam pazoki
- [Pw_forum] ZnO(1010) surface BandGap Giuseppe Mattioli
- [Pw_forum] ZnO(1010) surface BandGap meysam pazoki
