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Re: [lammps-users] VACF like white nosie
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Re: [lammps-users] VACF like white nosie


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 20 May 2018 09:14:23 -0400



On Fri, May 18, 2018 at 3:42 PM, 阿铖 <1178408727@...1204...> wrote:
Dear Lammps user

when I use compute vacf to calculate the methane, the output is like white noise as shown in the picture. 

​[...]​

Any useful advice is appreciate.

​please consider the following: if you want help and support, the minimum you should be doing, is ​to ask specific questions and explain *why* you think you need somebody's advice. just dumping your data on people and hoping they will do your work for you, is quite rude.

also, there is too much vital information missing (LAMMPS version, platform you are running on, specifics of the system you are simulating (how many methane molecules)
one thing is for certain, your VACF seems sufficiently converged after 150,000 steps. so why run longer? and not rather collect multiple samples?

axel.


 
best ragars!
cheng

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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.