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