Hi,
I have a problem setting a monoclinic structure.
I am following the user's guide instructions,
so I've transformed the structure (attached as a CIF file) to B-centered
using SETSTRU:
Initial Setting: C12/m1 (12)
12
21.205 12.530 3.859 90 93.30 90
13
S 1 8j 0.9308700.881900
I think your struct file will be okay if you select for the lattice in
StructGen spacegroup 12_B2/m instead of CXZ, and of course, use setrmt
again after changing to 12_B2/m.
Sure, you should be able to specify 'all' the atomic positions in the
general CXZ lattice to get the same structure.
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