QuantumATK > General Questions and Answers

Surface slab calculation

(1/1)

neerja:
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

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

Navigation

[0] Message Index

Go to full version