LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] neb command application
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] neb command application


From: "????????" <2601725915@...1204...>
Date: Thu, 7 Sep 2017 22:43:54 +0800

Dear LAMMPS users??

Hello, everyone! I am trying to calculate the free energy barrier for nucleation on a substrate, but I have no idea whether the neb command enable to do this job. What information I have found is that the neb method is applied to find the MEP or saddle point of the PE potential barrier, and it has nothing to do with the temperature. But I have to make sure of it. Any opinion is welcome.

Thank you for your help in advance!

 

Regards,

 

Xiaodong Su