QuantumATK Forum

General => Future Releases => Topic started by: arlonne on December 21, 2016, 04:47

Title: Hope the hybrid functional can be implemented
Post by: arlonne on December 21, 2016, 04:47

I hope we can perform hybrid functional (hse06) calculation in future. It will be very help.

Title: Re: Hope the hybrid functional can be implemented
Post by: Petr Khomyakov on December 21, 2016, 10:06

We are planning to implement the HSE functional in the ATK. At the moment, you can perform hybrid functional calculations, using FHI-AIMS calculator, which is a part of the VNL-ATK package.

Title: Re: Hope the hybrid functional can be implemented
Post by: ams_nanolab on January 6, 2017, 20:12

Pls introduce HSE06 soon. :)

Title: Re: Hope the hybrid functional can be implemented
Post by: rita.barr on March 8, 2017, 19:25

What do you mean with 'soon'? This year yet or there is no exact datum for the realase?

Title: Re: Hope the hybrid functional can be implemented
Post by: Jess Wellendorff on March 9, 2017, 07:42

There is currently no fixed release date.