[lammps-users] Question about lattice command

Dear All,

I used following command:

lattice diamond 5.43095 orient x 1 1 -2 orient y 1 1 1 orient z 1 -1 0

It is expected the lattice spacing in x direction should be sqrt(1^2+1^2+(-2)^2) * 5.43095 = 13.30

In Y,Z direction, it is correct, but the output is : what is wrong? Thanks.

Lattice spacing in x,y,z = 8.8687 9.40668 7.68052

Created orthogonal box = (0 0 0) to (88.687 94.0668 76.8052)
1 by 1 by 1 processor grid
Created 31777 atoms
WARNING: No fixes defined, atoms won’t move
Setting up run …
Memory usage per processor = 11.7218 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -145826.21 0 -145826.21 5395.7756
Loop time of 9.53674e-07 on 1 procs for 0 steps with 31777 atoms

Read the lattice doc page. It describes how it computes
the lattice spacings. If it isn't what you want, then you
can set them yourself with the spacing option.

Steve

Hi,Steve, thanks.

One more question, please see following commands:

Probably round-off at the faces of the box. Play with the box size. Viz
the system and see which atoms are missing.

Steve