QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: hsuya on August 9, 2020, 01:36

Title: Adding DFT-D2 in planewave calculators
Post by: hsuya 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.

Title: Re: Adding DFT-D2 in planewave calculators
Post by: Petr Khomyakov 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.