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

PRASAD SANKALPA WANNINAYAKA 2019s17502 at stu.cmb.ac.lk
Fri Feb 16 10:40:52 CET 2024


Dear QE users,
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.

Thank you
Best regards
Prasad Sankalpa
Physics Undergraduate

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