[QE-users] under estimate the bandgap in Quantum espresso

PRASAD SANKALPA WANNINAYAKA 2019s17502 at stu.cmb.ac.lk
Thu Feb 15 15:36:56 CET 2024


I am studying the electronic properties of FeTiO3 using QE when calculating
the band structure using 'bands.x' calculation. I obtained the bandgap as
0.01eV but according to references that value is 2.54 eV. i need to know
why this is happening.

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