Dear Lammps users,
I am new to lammps. I want to create a Cu single crystal that is FCC and relax it to 0k temperature and 0 bar pressure. But after the simulation, only half of the atoms are FCC and rest are disturbed. I also get lost atoms error many times by changing different parameters.
I will copy my input script, please see it and suggest some edits.
Thanks
Saurabh
Input file for uniaxial tensile loading of single crystal aluminum
Mark Tschopp, November 2010
------------------------ INITIALIZATION ----------------------------
units metal
dimension 3
boundary p p p
atom_style atomic
variable latparam equal 3.61
----------------------- ATOM DEFINITION ----------------------------
lattice fcc {latparam}
region whole block 0 15 0 15 0 15
create_box 1 whole
lattice fcc {latparam} orient x 1 1 2 orient y 1 -1 0 orient z 1 1 -1
create_atoms 1 region whole
------------------------ FORCE FIELDS ------------------------------
pair_style meam/c
pair_coeff * * library.meam Cu Cu.meam Cu
------------------------- SETTINGS ---------------------------------
compute peratom all pe/atom