HSE06 exchange screening parameter
Posted: Wed May 15, 2013 6:30 am
Hi
During calculation of band gap (DOS) of a semiconductor i am not getting correct value of band gap using HSE06 functional with screeing parameter 0.2.
Is it correct to use different screening parameter as for example 1.0 or 1.5 for HSE06 calculation to get the correct band gap?
Regards
K Srinivasu
During calculation of band gap (DOS) of a semiconductor i am not getting correct value of band gap using HSE06 functional with screeing parameter 0.2.
Is it correct to use different screening parameter as for example 1.0 or 1.5 for HSE06 calculation to get the correct band gap?
Regards
K Srinivasu