Author Topic: Hope the hybrid functional can be implemented  (Read 1824 times)

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Offline arlonne

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Hope the hybrid functional can be implemented
« on: December 21, 2016, 04:47 »
I hope we can perform hybrid functional (hse06) calculation in future. It will be very help.

Offline Petr Khomyakov

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Re: Hope the hybrid functional can be implemented
« Reply #1 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.

Offline ams_nanolab

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Re: Hope the hybrid functional can be implemented
« Reply #2 on: January 6, 2017, 20:12 »
Pls introduce HSE06 soon. :)

Offline rita.barr

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Re: Hope the hybrid functional can be implemented
« Reply #3 on: March 8, 2017, 19:25 »
What do you mean with 'soon'? This year yet or there is no exact datum for the realase?

Offline Jess Wellendorff

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Re: Hope the hybrid functional can be implemented
« Reply #4 on: March 9, 2017, 07:42 »
There is currently no fixed release date.