[Pw_forum] band gap calculation

[Boateng Isaac Wiafe]

Dear All,
I am trying to calculate the band gap from a density of states (DOS) plot for LaFeO3 but haven't been successful.

Upon reading around I find out that the band gap is the energy difference between the Conduction band minimum and the Valence band maximum.
>From the DOS plot below, is it right for  me to use a metre rule (*though sounds funny*) to measure the difference between the peaks/ bands at the fermi level (E-Ef)?
Please direct me if there is a better way of calculating it.
Thanks








..
Isaac Wiafe Boateng |Graduate Student 
Department of Chemistry, Theoretical and Computational Chem. Lab
KNUST, Kumasi - Ghana
+233 (0) 275 632712
Alt. e-mail: boatengisaacwiafe at gmail.com
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