Dear all, pls just want to calculate the band structure of a compound, but l dont know if its a metal, insulator, semiconductor or semi metal so l want to ask if l can use smearing for occupations in the &system card? in other word l am asking that how do we know when to use smearing for the accupations or tetrahedra or others. thanks for your usual assistance. Musari A A. UNAAB Nigeria
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