<div dir="ltr"><div><div><div><div><div><div>Dear QE experts,<br><br></div>I have extracted DOS of a 50 atom graphene system.<br>While performing SCF I have considered occupations=smearing, smearing=mv, degauss=0.005.<br>However,
while performing "NSCF", I forgot to change the occupations to
Tetrahedra and left the occupations option same as in SCF
(occupations=smearing, smearing=mv, degauss=0.005).<br><br></div>My doubt is, Is it OK to have non-tetrahedra occupations for NSCF ?.<br></div>Can I proceed to further calculations on the basis of obtained DOS for this system?<br><br></div>Thank you very much giving your precious time.<br><br></div>your's sincerely,<br></div>B S Bhushan</div>