hello dear
i have simulated water and cu.when it runs it shows this error"out of range of atom.cannot compute pppm".
input code and data have been attached
i appreciate any help.thanks
units real
dimension 3
boundary p p p
atom_style full
bond_style harmonic
angle_style harmonic
kspace_style pppm 1.0e-5
#----------------->> Water
read_data water.data
group hydrogen type 1
group Water type 1 2
group cu type 3
group oxygen type 2
#+++++++++++++++++>>Cu
lattice fcc " 3. 615" #Cu lattice constant
region Cu sphere 0 0 0 7 units box
create_atoms 3 region Cu