Answer by Abdul Muhaymin for Hybrid Pseudopotentials
TLDR: enforce the hybrid functional using input_dft keyword. Check the exchange-correlation (XC) functional of your hybrid functional and use any pseudopotentials that has the same XC functional.From...
View ArticleHybrid Pseudopotentials
I am trying to perform DFT calculations on lead halide perovskite system using Quantum Espresso However, I am confused in choosing the pseudopotentials. The hybrid pseudopotentials are recommended to...
View ArticleAnswer by Abdul Muhaymin for How to choose hybrid pseudopotentials in Quantum...
TLDR: enforce the hybrid functional using input_dft keyword. Check the exchange-correlation (XC) functional of your hybrid functional and use any pseudopotentials that has the same XC functional.From...
View ArticleHow to choose hybrid pseudopotentials in Quantum ESPRESSO?
I am trying to perform DFT calculations on lead halide perovskite system using Quantum Espresso However, I am confused in choosing the pseudopotentials. The hybrid pseudopotentials are recommended to...
View Article
