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Topics - Indra M

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General Questions and Answers / Related to Optimize Geometry
« on: May 5, 2022, 06:58 »
In Optimize Geometry tool at QuantumATK, there is an option Lattice Constraints, which is having "Fix Lattice Vectors for  x   y   z" with check box for tick/untick. Can anyone suggest me what it actually means? Is it necessary to tick in all the dimensions during geometry optimization? Please suggest.

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