Dear All I am working with the hybrid functional specially HSE which is implemented in espresso . As many researches show, the band gap is well reproduced by HSE for many semiconductors in good agreement with experimental gap. But as I know the overall electronic structure behavior like the coupling between localized and itinerant and the band ordering remain unclear. Can anyone introduce me suitable papers which compare the band structure of solids obtained by HSE and the results of experiments like ARPES and so one.
With the Bests Ali Kazempour Physics Department, Isfahn University of Technology -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120426/c88e77e4/attachment.htm
