Dear all, even if the topic have already been discussed, however I'd like to ask you if someone can give me a way to define correctly which mixing factor I have to apply for different cases, for instance insulators, semiconductors and metallic systems. Moreover, just for my personal curiosity, shall I ask you which kind of general parameters would you set for a scf calculation of a simple cubic zirconia, ZrO2, with the aim of obtaining the DOS? Thank you all, Tommaso Francese Universit? C? Foscari of Venice -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140423/cd70afb0/attachment.html
