[Pw_forum] Help on band gap calculation

Boateng Isaac Wiafe boatengisaacwiafe at yahoo.com
Fri Oct 3 13:56:59 CEST 2014


Dear All,
I am a bit new to the Quantum espresso package and its usage, and need assistance in how to determine the band gap from a density of state plot for an orthorhombic LaFeO3 system.
Any directions and assistance is deeply appreciated.
Regards
Isaac Wiafe Boateng
 

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