Hello Siesters :)
I hope you all are fine. I am trying to calculate band gap of semi devices in
optical limit. I cannot even get anything close B.G. of germanium. I have
checked all LDA and GGA methods but could not get any better than .1 eV for .65
eV. Please help me if there is a way or I am missing something. Any reference
to this discussion?
Kind Regards
Ammar Kirmani
- [SIESTA-L] Small Band Gap Problem Ammar Ahmad kirmani
