« previous next »
Pages: [1]   Go Down

Author Topic: Surface slab calculation  (Read 3960 times)

0 Members and 1 Guest are viewing this topic.

Offline neerja

  • Regular QuantumATK user
  • **
  • Posts: 5
  • Country: in
  • Reputation: 0
    • View Profile
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
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Surface slab calculation
« Reply #1 on: December 28, 2019, 18:59 »
You may use Cleave plugin in the Builder to cleave surfaces.
Logged
Pages: [1]   Go Up
« previous next »