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Newbie Question

Postby chcastan » Sun Feb 25, 2018 12:28 am

I want to simulate impact of heavy high energy ions (e.g. fission fragments) on chemical molecules. A friend suggested ABINIT for trying to simulate the the system. I just came to the ABINIT website, but I see relatively few topics in the forums (a few in 2017, and 2018). Is ABINIT a good software choice or should I be looking at something else? Maybe ABINIT is becoming less used in benefit of some other package out there? Thank you very much for any guidance you can provide.

Carlos H.
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Re: Newbie Question

Postby ebousquet » Mon Mar 05, 2018 1:29 pm

Dear Carlos,
Abinit can do the job, no problem. Now if the system is big and you need vacuum around, a non-plane wave code could be more interesting (or those without periodic boundary conditions).
Best wishes,
Eric
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Location: University of Liege, Belgium


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