[Pw_forum] Smearing the occupations or not?

Abolore Musari abmus007 at gmail.com
Thu Aug 18 08:18:22 CEST 2011

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

More information about the users mailing list