Dear all,
i get this error when i run the simulation for diamond216 structure using tersoff potential.
ERROR: Illegal fix nvt/npt/nph command (fix_nh.cpp:324)
Here is my input file.
Please help with what i am doing wrong.
units metal
dimension 3
atom_style atomic
boundary p p p
read_data diam216.data
neighbor 0.5 bin
neigh_modify delay 1
pair_style tersoff
pair_coeff * * C.tersoff C
thermo 10
timestep 0.001
dump 1 all custom 10 dump.lammpstrj id type x y z
velocity all create 300.0 13
fix 2 all temp/rescale 25 300.0 300.0 50 1.0
fix 3 all nvt temp 300.0 300.0 100.0
run 5000
unfix 2
unfix 3
fix 4 all npt temp 300.0 300.0 iso 1.0 1.0 10.0
run 50000