« previous next »
Pages: [1]   Go Down

Author Topic: Adding DFT-D2 in planewave calculators  (Read 4061 times)

0 Members and 1 Guest are viewing this topic.

Offline hsuya

  • Heavy QuantumATK user
  • ***
  • Posts: 78
  • Country: in
  • Reputation: 0
    • View Profile
Adding DFT-D2 in planewave calculators
« on: August 9, 2020, 01:36 »
Hello I want to use incorporate van-der-waals correction (grimme-dft d2) in my gas adsorption studies by that option isn't coming when I am using planewave calculator. I have attached screenshot of the calculators. It is showing in case of using LCAO calculators.
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Adding DFT-D2 in planewave calculators
« Reply #1 on: August 10, 2020, 13:51 »
This feature for using Grimme's correction in the PW calculator will become available in the coming release of QuantumATK.
Logged
Pages: [1]   Go Up
« previous next »