Dear lammps user, I made the following lammps input file to compute rdf but in output I obtained all zero values of rdf and coordination number. How to correct this?
#create a simulation box
dimension 3
units micro
boundary p p p
atom_style charge
lattice fcc 4.58
region myregion block 0 10 0 10 0 10
create_box 1 myregion
create_atoms 1 region myregion
mass 1 39.948
pair_style yukawa 2.0 2.5
pair_coeff 1 1 100.0 2.3
minimize 1e-20 1e-20 10000 10000
timestep 0.001
velocity all create 5 12345 dist gaussian mom yes rot yes
compute srdf all rdf 1000 1 1 cutoff 2.0
fix myfix all ave/time 1 10000 10000 c_srdf[1] c_srdf[2] c_srdf[3] file Arrdf_solid.txt mode vector
fix 1 all nve
dump dump_1 all custom 1000 rdf.dump id type x y z ix iy iz vx vy vz
thermo_style custom step time temp pe ke etotal press vol
thermo 1000
run 10000
undump dump_1
unfix 1
Arrdf_solid.txt (13.7 KB)