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
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