Hi all,
please find below my lammps input script and log file. Iam trying to minimize the slab with 1526 atoms and use modified tersoff potential. Iam getting this warning: Resetting reneighboring criteria during minimization. Also, the energy remains unchanged as seen below.So, no minimization occurs.
Could somebody please advise how do I get rid of the warning and minimize my slab.
units metal
atom_style atomic
boundary p p p
#--------Reading Configuration----------
read_data configforrunwithoutOatoms.txt
#–Masses–##
mass 1 28.0855
mass 2 15.9994
pair_style tersoff
pair_coeff * * SiO.tersoff Si O
group moving id <> 1 667
group fixed id <> 668 1526
#----initial velocity-----
min_style quickmin
minimize 1.0e-6 1.0e-4 1000 10000
#timestep 0.0005
neighbor 0.7 bin
neigh_modify every 1 delay 10 check yes
#------output files-------------------------------
dump SilicaDump all custom 1000 dump.starting id type x y z vx vy vz
dump SilicaDump1 all xyz 100 dump.Startingxyz.xyz
thermo_style custom step temp press pe etotal
thermo 20
run 500
Log File:
minimize 1.0e-6 1.0e-4 1000 10000
WARNING: Resetting reneighboring criteria during minimization
Memory usage per processor = 0.448807 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -8528.3632 0 -8528.3632 -3589.8371
1 1.6707646e-07 -8528.3632 0 -8528.3632 -3589.8371
Loop time of 0.00640008 on 12 procs for 1 steps with 1526 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-8528.36322586 -8528.36322586 -8528.36322586
Force two-norm initial, final = 109.484 109.484
Force max component initial, final = 12.005 12.005
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Regards,
Saketh.