Dear LAMMPS Users,
The number of atoms changes with the same input except different scales(denoted as a) in the lattice command. I posted the problem just now, but a mistake was given in my input for the boundary command(not s s p, but p s p). Sorry for that.
boundary p s p
lattice fcc $a origin 0 0 0 orient x 1 1 -2 orient y 1 1 1 orient z 1 -1 0
region box block 0 3 0 1 0 3
create_box 1 box
create_atoms 1 box
if a=1,2,3,...or 3.625,3.635,3.675, the number is 192;
if a=3.615(lattice constant for Cu),3.665, the number is 190;
if a=3.605,3.645,3.655,3.695, the number is 191.
why are some atoms lost for some scale values?
Thank you for your time. Any help is appreciated.