QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: neerja on December 26, 2019, 07:03

Title: Surface slab calculation
Post by: neerja 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

Title: Re: Surface slab calculation
Post by: Petr Khomyakov on December 28, 2019, 18:59

You may use Cleave plugin in the Builder to cleave surfaces.