[RMCProfile-users] As2Se3 Structure

[Judy, Laura R.]

Yes! I accidentally made the density too small, and the way I was inputting it was wrong, but it works now! Thank you so much!


Laura Nichols

________________________________
From: Judy, Laura R.
Sent: Thursday, October 20, 2016 8:40:44 PM
To: rmcprofile-users at rmcprofile.org
Subject: As2Se3 Structure


Hi all!


I am trying to play around with RMCProfile using As2Se3. I do not have an original configuration, so I am trying to use dwbuild. I gave it a number density of 0.007397 A^-3 and input As and Se for my atoms. However, after it tells me what the total number of atoms will be (5000) it hits a segmentation fault. I am not really sure what the inner workings of this program are to figure out what input values are wrong. What can I do to avoid this seg fault?


Thanks,


Laura Nichols
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