otimization with symmetry constraint

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zjuer
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Joined: Thu Feb 17, 2011 2:05 am

otimization with symmetry constraint

Post by zjuer » Sat Oct 29, 2011 4:13 am

Hello all,

I want to optimize the structure (cell and atomic positions)of Sb2Se3 with symmetry constraint,space group is R-3M (166), then what kind of input keywords should I use to keep symmetry during optimization? Thanks in advance.

zjuer
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