Tutorial on DFT+U+V using Quantum ESPRESSO (v6.7)
Quantum ESPRESSO (QE)
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Tutorial on DFT+U+V using Quantum ESPRESSO (v6.7)
23 660 просмотров · 5 лет назад
Quantum ESPRESSO (QE)
1,8 тыс. подписчиков
23 660 просмотров · 5 лет назад
This DFT+U+V tutorial was presented by Dr. Iurii Timrov (EPFL, Switzerland) at the e-School "DFT and Models 2021" (https://dft2models.eu) on 14.06.2021 which was sponsored by Psi-k.
The tutorial is done using Quantum Mobile (v21.06.04) (https://quantum-mobile.readthedocs.io...) and the material is available at https://github.com/materialscloud-org....