[ADF-LIST] stability of structure through RDF

Pascal Brault pascal.brault at univ-orleans.fr
Tue Jun 2 13:46:50 CEST 2020

Hi
The two peaks are very boad and span a quite broad distance range.
See picture below for liquid Argon

Best
PAscal

Pascal Brault
DR CNRS
Chargé de mission INSIS Energie
Chercheur au GREMI UMR7344
CNRS-Université d'Orléans


> Le 1 juin 2020 à 13:34, Hajra Kanwal . <16341510-015 at uog.edu.pk> a écrit :
> 
> How can we say that our structure has become liquid?
> 
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> On Sun, May 31, 2020 at 11:33 PM Pascal Brault <pascal.brault at univ-orleans.fr <mailto:pascal.brault at univ-orleans.fr>> wrote:
> Hi
> This RDF looks like a liquid stae.
> Best
> Pascal
> 
> Pascal Brault
> DR CNRS
> GREMI UMR7344
> CNRS-Université d’Orléans
> 
> Le 31 mai 2020 à 14:39, Hajra Kanwal . <16341510-015 at uog.edu.pk <mailto:16341510-015 at uog.edu.pk>> a écrit :
> 
> 
> Dear SCM users,
> if we are studying structural stability of 2D materials through radial distribution peaks by varying temperature so we come to knoe=w that at which temperature (maximum) this structure would be stable, when RDF peaks will completely diminishes and we get almost a straight line? for example i am sending the aluminene structure at 3000k but at which temperature we should stop doing further calculations or stop increasing temperature? because the structure I attached below at 3000k is not much different from the structure at 2000k or 1500k.
> 
> regards
> hajra
> 
> 
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> <aluminene 3000k.PNG>
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