[Wien] band gap problem for optic calculation
Tomohiko Tasaka
tasaka at affinity-science.com
Wed Apr 20 10:25:14 CEST 2011
Hi,
I try to calculate optical properties for wide-gap insulators.
then, I found that the value of refractive index got worse when band
gap are corrected by GGA+U method or mBJ potential(i.e. underestimate).
so, is this normal behavior? or, am I wrong??
sorry for the vague question, but any information would be appreciated.
Thanks in advance, with best regards,
Tomo
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