Energy Gradient Plotting

From: Zeki Zeybek (
Date: Wed Jan 18 2017 - 02:19:03 CST

Hello !

I was wondering is there any way to plot the energy gradient with xmgrace using the log file as we do with the energy.dat file. And also another thing is that even though there are a couple of entries about cellbasisvectors none of them explains how we can determine the value of cellbasis vectors. Some say little bigger than the box dimension some say exactly the same.... Thank you for your replies.

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