LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Including b3 structure in meam potential
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Including b3 structure in meam potential


From: Digvijay Yadav <yadavdg3@...24...>
Date: Sun, 22 Apr 2018 13:16:23 +0530

Thanks axel,
actually it doesnt explicitly say in manual , that a "b3" lattice option is supported but if I want to work on it then how I can go for it? 
Regards,
digivjay

On Sun, Apr 22, 2018 at 1:06 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Sat, Apr 21, 2018 at 9:22 AM, Digvijay Yadav <yadavdg3@...24...> wrote:
> Dear all,
>             I am getting error
> ERROR: Unrecognized lattice type in MEAM file 2 (../pair_meam.cpp:712)
> Last command: pair_coeff                 * * library.meam Si C SiC.meam Si C
>
> actually I want to use the MEAM potential parameter " lattice" as 'b3' (that
> is ZnS structure) in SiC.meam file instead of 'dim', how I can go for it?

does it explicitly say in the manual, that a "b3" lattice option is supported?

axel.

>
> Regards,
> Digvijay
>
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> lammps-users mailing list
> lammps-users@...12...396...sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/lammps-users
>



--
Dr. Axel Kohlmeyer  akohlmey@...43...4...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.