Hello
I am investigating structural and electronic properties of AgSbTe2.
AgSbTe2 is a narrow-gap semiconductor. But LDA calculations show that it is a
semimetal and there is no gap in band structure. So that, I used LDA+u
calculation but the band-gap problem was not solved and again there was no band
gap.
In a paper, the problem was corrected by sx-LDA.
Can I use sx-LDA by quantum espresso? And if not, how can I correct band gap
problem using quantum espresso?
thank you
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