I have a questions when it comes to aKMC script.
Posted: 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..
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..