[Pw_forum] Fw: relax is too slow

[vega]

Dear sir
> vega wrote:
>
>> As far as I tested, the energy would be within 1% for large supercells,
>> but the coordinates of several atoms may differ 200%.
>
> doesn't make sense

could you tell me more about how to choose the k point mesh?

vega
=================================================================================
Vega Lew (weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China

--------------------------------------------------
From: "Paolo Giannozzi" <giannozz at democritos.it>
Sent: Friday, September 12, 2008 5:27 PM
To: "PWSCF Forum" <pw_forum at pwscf.org>
Subject: Re: [Pw_forum] Fw: relax is too slow


> -- 
> Paolo Giannozzi, Democritos and University of Udine, Italy
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