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: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 22 Apr 2018 05:22:58 -0400

On Sun, Apr 22, 2018 at 3:46 AM, Digvijay Yadav <yadavdg3@...24...> wrote:
> 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?

if it is not listed in the manual, then there is no direct support.
you would have to read, understand, and correspondingly modify the sources.

axel.

> 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@lists.sourceforge.net
>> > https://lists.sourceforge.net/lists/listinfo/lammps-users
>> >
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
>> College of Science & Technology, Temple University, Philadelphia PA, USA
>> International Centre for Theoretical Physics, Trieste. Italy.
>
>



-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.