[RMCProfile-users] As2Se3 Structure

[Judy, Laura R.]

Hi Matt!


I totally understand that everyone gets busy. I have attached the data files, configuration files generated by dwbuild, and my input file with all of the specifications.


Thank you for being willing to help!


Laura

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From: Judy, Laura R.
Sent: Thursday, January 26, 2017 3:48:35 PM
To: rmcprofile-users at rmcprofile.org
Subject: Re: As2Se3 Structure


Hi all!


Sorry to email again, but I never got a response. I am currently stuck in the process of trying to run RMCProfile on As2Se3. I am still currently having 2 issues: getting ^@^@ in place of the element names in the .rmc6f file generated by dwbuild and getting a seg. fault when using S(Q) (reciprocal space). My input files are all given in the previous posts, and I can send them again if needed. Please help because I am stuck, and I don't want to have to learn a completely different software to use!


Thanks!


Laura Nichols

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