[xcrysden] Wigner-Seitz cell
xcrysden@democritos.it
xcrysden@democritos.it
Wed, 04 Jul 2007 20:22:29 +0700
Hi!
I have tried to visualize Wigner-Seitz cell of bcc structure (Fe) but
I've got the wrong cubic shape of one. I wonder because Wigner-Seitz=20
cell of bcc lattice must has truncated octahedron shape. What did I do
wrong?
=3D=3D=3D=3D
DIM-GROUP
3 6
PRIMVEC
2.8700000000 0.000000000 0.0000000000
0.0000000000 2.870000000 0.0000000000
0.0000000000 0.000000000 2.8700000000
CONVVEC
2.870000 0.000000 0.000000
0.000000 2.870000 0.000000
0.000000 0.000000 2.870000
PRIMCOORD
2 1
26 0.0000000000 0.0000000000 0.0000000000
26 1.4350000000 1.4350000000 1.4350000000
=3D=3D=3D
Thanks in advance,
Pavel