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Dear QE users<br><br>Is "Occupations" variable necessary for Metals? It seems that the "tetrahedra" along with occupations variable is not suitable for optimization calculations !<br>my studing sample is Graphite and I do not know that the specifying of the metallicity is needed or not? a simple physical definition of "occupations" should be useful for me. I could not find a clear one in the forum. Is this variable related to the how should one select the K-POINTS !? <br><br><br>Masoud Nahali<br>SUT<br><br><br> <br /><hr />Hotmail: Trusted email with Microsoft’s powerful SPAM protection. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Sign up now.</a></body>
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