dear users
I am working on GaP compound.I found that experimental studies show 2.35 ev
width for it's band gap. when I run bands.x the gap widht is 2.20 ev, but
when I run dos.x the gap width is 1.45 ev.I used tetrahedra for nscf in
dos, but use smearig for band. I attached my input files. I use espresso 4.3
could anyone help me in this?
thanks
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