Newbie Question

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chcastan
Posts: 1
Joined: Sat Feb 24, 2018 11:08 pm

Newbie Question

Post by chcastan » Sat Feb 24, 2018 11:28 pm

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.

ebousquet
Posts: 372
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: Newbie Question

Post by ebousquet » Mon Mar 05, 2018 12:29 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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