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Re: [lammps-users] [EXTERNAL] hi about the potential parameters of latte
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Re: [lammps-users] [EXTERNAL] hi about the potential parameters of latte


From: Steve Plimpton <sjplimp@...3...>
Date: Mon, 16 Oct 2017 08:06:53 -0600

Hi - Marc and Christian are the right folks to answer this,
as it's really a LATTE Q.  I'm also CCing this to
the LAMMPS mail list, as I think the Q/A will be of
general interest to other LAMMPS users who want
to try out tight-binding and LATTE.

Marc/Christian - if you CC the mail list address
in your replies, the info should appear there as well.

Thanks,
Steve


> From: "Song, Zhigong" <zhigong_song@...802...>
> Date: Sat, 14 Oct 2017 15:19:05 -0400
> Cc: cnegre@...795..., sjplimp@...3...
> Content-Type: multipart/alternative; boundary="001a113b0cc89a18ad055b86a52b"
> 
> [1:text/plain Hide]
> This is a heavy lammps users from Brown University. I am very excited to
> find that tight-binding method is implemented with lammps and make it
> complie successfully. However, when I finished the testing in example
> directory, I realized that there are only C,H,N,O potentials within. I am
> forced on mechanical properties of materials Thus, I am just wondering if
> there are TB potentials of other elements. Or where could I get them?
> Thanks a lot for all your contributions on it,
> 
> 
> Best
> [2:text/html Show]