[Pw_forum] I can't view the output file of relax calculation using Xcrysden step by step.
Axel Kohlmeyer
akohlmey at cmm.chem.upenn.edu
Mon Dec 8 10:53:15 CET 2008
On 12/8/08, vega lew <quantumdft at gmail.com> wrote:
> Dear sir,
>
> I used XCrySDen-1.4.1bin-static. Is this the latest version? If not, could
> you please give me the link to it?
how about checking the xcrysden homepage?
it is a simple as that. in this case you'd find:
http://www.xcrysden.org/News.html#dec05-2008
which will answer your question.
axel.
>
> thank you for reading.
>
> vega
>
> On Mon, Dec 8, 2008 at 4:50 PM, Paolo Giannozzi
> <giannozz at democritos.it>wrote:
>
>>
>> On Dec 8, 2008, at 5:22 , vega lew wrote:
>>
>> > When I want to visualize the process of the relaxation, I found
>> > only last / initial configuration displayed. I can't visualize the
>> > output file step by step.
>> > Did anyone encounter the same problem using 4.0.3 version of QE?
>>
>> did you try with a more recent version of xcrysden?
>>
>> Paolo
>> ---
>> Paolo Giannozzi, Democritos and University of Udine, Italy
>>
>>
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>
>
>
> --
> ==================================================================================
> 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
> ******************************************************************************************************************
> Email: vegalew at gmail.com
> Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
> Jiangsu, China
> ******************************************************************************************************************
>
--
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Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
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