[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:)
--
____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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