[ADF-LIST] stability of structure through RDF

Hajra Kanwal . 16341510-015 at uog.edu.pk
Tue Jun 2 16:25:17 CEST 2020

but the peaks aren't much different from each other so at which temperature
we can say that our structure has converted to liquid?

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On Tue, Jun 2, 2020 at 5:09 PM Pascal Brault <pascal.brault at univ-orleans.fr>
wrote:

> 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> 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> 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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