Dear shiva mokhavat: Make sure that both "the top of valenc band" and " the bottom of conducting band" locate on your band path.
On Sun, May 12, 2013 at 5:58 PM, shiva mokhavat <shiva.mokhavat at gmail.com>wrote: > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ____________________________________ Hui Wang School of physics, Fudan University, Shanghai, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130512/8a85be2a/attachment.html