<html><head><style type='text/css'>p { margin: 0; }</style></head><body><div style='font-family: Times New Roman; font-size: 12pt; color: #33CC00'><span style="color: rgb(0, 0, 0);">Dear All</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
I am working with the hybrid functional specially HSE which is</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
implemented in espresso . As many researches show, the band gap is</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
well reproduced by HSE for many semiconductors in good agreement with</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
experimental gap. But as I know the overall electronic structure</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
behavior like the coupling between localized and itinerant and the</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
band ordering remain unclear. Can anyone introduce me suitable papers</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
which compare the band structure of solids obtained by HSE and the</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
results of experiments like ARPES and so one.</span><br style="color: rgb(0, 0, 0);">
<br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">
With the Bests</span><br>
<br><span><br><span name="x"></span><span style="color: rgb(0, 0, 0);">Ali Kazempour</span><br style="color: rgb(0, 0, 0);"><span style="color: rgb(0, 0, 0);">Physics Department, Isfahn University of Technology</span><span name="x"></span><br></span><br></div></body></html>