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