[Spglib-users] Symmetries for diamond-Si

[Navaneetha K. <nav...@ca...>]

Hi,

When I use the following lattice vectors,

l1 : [-0.5a 0.0a 0.5a]
l2 : [0.0a 0.5a 0.5a]
l3 : [-0.5a 0.5a 0.0a]

with the following basis atom positions in fractional coordinates:

b1 : [0.0 0.0 0.0]
b2 : [-0.25 0.75 -0.25]

I get only 16 symmetry operations instead of the usual 48 symmetries for
diamond lattice. Could someone let me know if they get this problem/let me
know what I am doing wrong?

Thanks,
-
Navaneeth,
Caltech.