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Re: [lammps-users] relaxation system
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Re: [lammps-users] relaxation system


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 19 Dec 2017 20:56:14 -0500



On Tue, Dec 19, 2017 at 4:43 PM, Djelel Djelloul <bdjelel1398@...24...> wrote:
Dear all,
Please who can help me to calculate thé relaxtion energy för silicon bulk using LAMMPS system ?
i tried with the input file in attachement but i haven't achieved this  point .

you just put a gnuplot command into a LAMMPS input. ​how should that work?​
please talk to your colleagues. you need the kind of help, that you cannot from this mailing list.
you need to learn how to extract data from program output and reformat and process it for plotting.
this is something every reasonably accomplished scientists can teach you and has *nothing* to do with LAMMPS.

axel.

 
Regards

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.