Back to Browse

Hybrid functionals | VASP Lecture

6.8K views
Apr 27, 2022
1:14:26

Henrique Miranda motivates the use of hybrid functionals and presents an overview of their implementation in VASP. He also alludes to some computational aspects and reviews numerical results. You can find our tutorial for hybrid functionals on our website: https://www.vasp.at/tutorials/latest/hybrids/ 0:00:00 Introduction 0:00:53 Presentation starts 0:05:00 Hartree-Fock solution 0:11:00 Hybrid functionals 0:12:36 PBE0 0:13:51 HSE 0:17:18 B3LYP 0:19:27 Computational aspects 0:25:40 Short and long-range separation 0:32:20 Downsampling 0:38:45 Adaptively compressed exchange 0:43:31 Numeric results 0:56:33 Conclusion 0:59:23 Band-structure calculations 1:05:58 Q&A

Download

1 formats

Video Formats

360pmp499.2 MB

Right-click 'Download' and select 'Save Link As' if the file opens in a new tab.

Hybrid functionals | VASP Lecture | NatokHD