[lammps-users] GaAs potential

LAMMPS LAMMPS Mailing List Mirror
1

Steve,

Can we carryout MD simulations on Gallium Arsenide(GaAs) or indium arsenide(InAs) in LAMMPS?? If yes, then which potential should i use???

Thanks
Ajit

2

Don't know. I think you should look in the literature
for GaAs papers and find out what people use.

Steve

3

hi
i make simulations with InAs and GaAs and use normaly the Stillinger-Weber potential.

but i try also with success the Tersoff potencial.

if you want i can sent a little example

bye.