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[lammps-users] REAXFF Potentilal file
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[lammps-users] REAXFF Potentilal file

From: "Nasiri, Samaneh" <samaneh.nasiri@...4839...>
Date: Mon, 6 Nov 2017 13:12:21 +0000

Dear All,

I started working with reaxff potential files about a month ago. Unfortunately there is no documentation about the parameters in the potential files. I found two reaxff potential file both representing C-C interaction in graphene, but the parameters in files are not the same. I am really confused. I really appreciated if you help me with that.


Samaneh Nasiri, M.Sc.
Doctorate Candidate at Institute for Materials Simulation (WW8)

Department of Materials Science
Friedrich-Alexander-University Erlangen-Nürnberg

Dr.-Mack-Str. 77, 90762 Fürth, Germany
Room: 2.024

phone: +49 911 65078-65065
fax:   +49 911 65078-65066