[Pw_forum] performance of occupation='fixed' and ='smearing'

xirainbow nkxirainbow at gmail.com
Thu Sep 10 05:12:10 CEST 2009


Dear Wang: Smearing is used to accelerate scf convergence when you deal with
metal material.
But the convergence of smearing must be checked carelfully:)


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Hui Wang
School of physics, Nankai University, Tianjin, China
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