[Pw_forum] About OCCUPATIONS options in relax calculations

[Phanikumar Pentyala]

Dear QE users

I am working on finding properties of cerium oxide (ceo2). My doubt was
while doing relax calculations for oxides what options I have to give for
OCCUPATIONS?

Is it correct giving 'SMEARING' option for oxides ?  (in instruction manual
it mentioned only for metal)

Thank you in advance, your support more valuable to me



Regards
Phanikumar Pentyala
Research Scholar,
IIT Kharagpur
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170320/ce80f612/attachment.html>