[Pw_forum] Mixing factor
neutrinofrancese at gmail.com
Wed Apr 23 21:39:31 CEST 2014
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,
Università Cà Foscari of Venice
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