I use the following code snippet to create the diamond space group in GAP with the help of cryst package:
gap> M1:=[[0, 0, 1, 0],[1, 0, 0, 0],[0, -1, 0, 0],[1/4, 1/4, 1/4, 1]];;
gap> M2:=[[0,0,-1,0],[0,-1,0,0],[1,0,0,0],[0,0,0,1]];;
gap> S:=AffineCrystGroup([M1,M2]);
<matrix group with 2 generators>
The above code snippet comes from page 21 of the book Computer Algebra and Materials Physics
, as shown below:
# As for the diamond case, in the GAP computation, the
# crystallographic group is defined as follows. (The minimal
# generating set is used for simplicity.)
gap> M1:=[[0,0,1,0],[1,0,0,0],[0,-1,0,0],[1/4,1/4,1/4,1]];;
gap> M2:=[[0,0,-1,0],[0,-1,0,0],[1,0,0,0],[0,0,0,1]];;
gap> S:=AffineCrystGroup([M1,M2]);
<matrix group with 2 generators>
gap> P:=PointGroup(S);
Group([ [ [ 0, 0, 1 ], [ 1, 0, 0 ], [ 0, -1, 0 ] ],
[ [ 0, 0, -1 ], [ 0, -1, 0 ], [ 1, 0, 0 ] ] ])
It's well-known that diamond has the space group Fd-3m (No. 227)
. I wonder how I can verify/confirm/check this fact in GAP after I've created the above AffineCrystGroup
.
Regards, HZ
Based on the command ConjugatorSpaceGroups provided by the cryst package, as described here, I figured out the following solution: