hi lammps community ,
i am trying to apply shear strain on the lco model.
the material gets strained however after some deformation it starts again from the starting position as can be seen in the attached video file link after 2 seconds and at 67 step of simulation.
is this has some connection with periodic boundary condition? or where is this coming from?
input file:
lco yz shear strain 1:1
clear
box tilt large
#change_box all triclinic
read_restart lco300.equil
kspace_style ewald 1.0e-6
pair_style buck/coul/long/cs 9.0 #A, rho, C
pair_coeff * * 0.0 1.000 0.00
pair_coeff 1 5 632.1018 0.2906 0.0000
pair_coeff 3 5 1670.2416 0.28 0.0000
pair_coeff 5 5 22764.3 0.149 44.53
special_bonds lj/coul 0 1 1
bond_style harmonic
bond_coeff 1 110.5 0.0
bond_coeff 2 65.0 0.0
reset_timestep 0
timestep 0.001
fix 5 all nvt temp 300 300 0.05
fix 6 all deform 1 yz erate 0.005 remap x units box
compute peratom all stress/atom NULL
compute p all reduce sum c_peratom[6]
compute mytemp all temp/deform
fix_modify 5 temp mytemp
variable syz equal c_p/vol/10000
variable eyz equal step0.0010.005
thermo 1000
thermo_style custom step pe ke etotal temp press lx ly lz vol v_syz v_eyz
dump out all atom 1000 dumpz.5strain.lco.lammpstrj
run 100000
video link: https://drive.google.com/file/d/1EBEZjP0DV_D3iLgXuIXxugHyo6JalIvj/view?usp=sharing
thanks a lot in advanced