jinan niu
unread,Oct 12, 2025, 8:41:00 PMOct 12Sign in to reply to author
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  to USPEX
As the title suggests. For example, in silicates, the coordination number of Si is always tetrahedral, while the coordination number of Al is always 6. If this condition can be utilized, the prediction success rate of USPEX can be greatly improved. I wonder if USPEX can set the coordination number?