[Pw_forum] band gap problem

Paolo Giannozzi giannozz at democritos.it
Wed Jan 14 21:42:13 CET 2009


On Jan 14, 2009, at 18:30 , Bipul Rakshit wrote:

> With this i am getting a band gap of 7.2 eV, while LDA calculations  
> (by other
> authors) shows band gap of 3.36 eV and experimental is 1.1 eV.

I have never heard of a case where the LDA band gap is 3 times the
experimental one!

Paolo
---
Paolo Giannozzi, Democritos and University of Udine, Italy





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