[Pw_forum] hse performance

[ali kazempour]

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





Fritz-Haber-Institut              fax   : ++49-30-8413 4701
der Max-Planck-Gesellschaft
Faradayweg 4-6                    e-mail: kazempou at fhi-berlin.mpg.de
D-14 195 Berlin-Dahlem / German
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