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Author Topic: Surface slab calculation  (Read 2166 times)

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Offline neerja

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Surface slab calculation
« on: December 26, 2019, 07:03 »
hi everyone,
I m working on brookite TiO2. i want to calculate the properties for diffrent low index surfaces of brookite TiO2. also want to study surface termination effect.  so i want to know how to make oxygen terminated slab and ti terminated slab in quantum atk 2018.03
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Offline Petr Khomyakov

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Re: Surface slab calculation
« Reply #1 on: December 28, 2019, 18:59 »
You may use Cleave plugin in the Builder to cleave surfaces.
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