Dear users,
I want to create the triclinic lattice (a=8.194 b=12.897 c=14.190 Ang,
alpha=92.98 beta=115.82 gamma=91.15 degree) and tried as follows.
LatticeConstant 1 Ang
%block LatticeParameters
8.194 12.897 14.190 92.98 115.82 91.15
%endblock LatticeParameters
I am not sure whether it is correct or not, because I can't see the
spacegroup number (2) or international mark (P-1) of this structure in
SIESTA output. How can I confirm the space group of the crystal in
SIESTA output?
Thanks in advance.
Chol-Jun Yu
--
Computational Materials Engineering (CME)
Institute of Minerals Engineering (GHI)
Center for Computational Engineering Science (CCES)
RWTH Aachen University (RWTH)
Jülich-Aachen Research Alliance (JARA)
D-52064 Aachen, Mauerstrasse 5,
Tel: +49-241-8094989
Fax: +49-241-80695097
