Hello everyone,
I am running ZnO bulk in lammps. I am getting following error: ERROR on proc 0: Fix qeq/reax parameter file could not be found (…/fix_qeq_reax.cpp:218)
Last command: fix 2 all qeq/reax 1 0.0 10.0 1e-6 param.qeq
My input file is:
REAX potential for ZnOH2 system
…
units real
atom_style full
read_data zno-vmd.data
pair_style reax/c lmp_control
pair_coeff * * ffield.reax.ZnOH Zn O
neighbor 2 bin
neigh_modify every 10 delay 0 check no
fix 1 all nve
fix 2 all qeq/reax 1 0.0 10.0 1e-6 param.qeq
fix 3 all temp/berendsen 500.0 500.0 100.0
timestep 0.25
#dump 1 all atom 30 dump.reax.znoh
run 3000
Please guide me.
Regards
Sasthi