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<DIV>Dear xirainbow:</DIV>
<DIV style="TEXT-INDENT: 2em">I know that. But I think the amount of calculation
is the same if 'nbnd' and 'K_POINTS' are set the same values. What I donot
understand is the difference of performance.</DIV>
<DIV style="TEXT-INDENT: 2em">Best Wishes,</DIV>
<DIV>Yunpeng Wang</DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV>--------------------------------------------------------------------------</DIV>
<DIV>Date: Thu, 10 Sep 2009 03:12:10 +0000</DIV>
<DIV>From: xirainbow <nkxirainbow@gmail.com></DIV>
<DIV>Subject: Re: [Pw_forum] performance of occupation='fixed' and</DIV>
<DIV>='smearing'</DIV>
<DIV>To: PWSCF Forum <pw_forum@pwscf.org></DIV>
<DIV>Message-ID:</DIV>
<DIV><21fbc4790909092012r2545e4anbe65ab8da314ae7f@mail.gmail.com></DIV>
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<DIV> </DIV>
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<DIV>Dear Wang? Smearing is used to accelerate scf convergence when you deal with</DIV>
<DIV>metal material.</DIV>
<DIV>But the convergence of smearing must be checked carelfully:)</DIV>
<DIV> </DIV>
<DIV></FONT> </DIV>
<DIV><FONT face=Verdana size=2></FONT> </DIV>
<DIV align=left><FONT face=Verdana color=#c0c0c0 size=2>2009-09-10
</FONT></DIV><FONT face=Verdana size=2>
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<DIV><FONT face=Verdana color=#c0c0c0 size=2><SPAN>shypirate</SPAN>
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