I have a questions when it comes to aKMC script.

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gkdlzm
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Joined: Mon Aug 12, 2019 11:14 am

I have a questions when it comes to aKMC script.

Post by gkdlzm » Mon Aug 12, 2019 11:26 am

I've been studying Monte-Carlo simulation but I have no idea about INCAR_sp INCAR_min INCAR_dynmat and DISPLACECAR_sp.

I've been struggling with some setbacks for few days.

Here's my questions:

1. What is INCAR_sp, INCAR_min and something I mentioned above? Is there anyone who can elaborate on these files? What do I have to do to make
this file?

2. I have no idea about what am I supposed to with these files. Do I have to run akmc_submit.pl first before
run akmc.pl so I can get akmc_min.sub and akmc_dynmat.sub?
How to prepare .sub files and what does that mean by _sp and _min files?

It will be very appreciated to let me know about following procedure every little detail as possibly as you can from start to finish..

graeme
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Location: University of Texas at Austin
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Re: I have a questions when it comes to aKMC script.

Post by graeme » Tue Aug 13, 2019 2:48 am

This is a very old script which is no longer supported. It has been replaced by the EON code:
http://theory.cm.utexas.edu/eon/

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