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[lammps-users] melting gold
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[lammps-users] melting gold


From: Maryam Alqassimi <maryam.alq95@...24...>
Date: Tue, 27 Jun 2017 18:43:00 +0400

I am trying to display the phase transition for gold using the following input script: (melt.in.png) but what I get is a much higher melting temperature around 2000 K than the actual one around 1300 k. This input script is taken from an example posted : http://www.u.arizona.edu/~stefanb/Files/HPCTutorials/MD-lammps-Final.pdf


I am not sure what mistake I am making, is it something in setting up the system??

the output plotted and attached : melt.out.png

Thank you

Regards,
Maryam

Attachment: melt.in.png
Description: PNG image

Attachment: melt.out.png
Description: PNG image