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How to save pseudopotential?

One common format to save pseudopotentials is the Unified Pseudopotential Format (UPF) used by Quantum ESPRESSO, but also supported e.g. by CASTEP, CP2K, etc. P.S. While the creation of ...
leopold.talirz's user avatar
9 votes
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How to choose hybrid pseudopotentials in Quantum ESPRESSO?

TLDR: enforce the hybrid functional using input_dft keyword. Check the exchange-correlation (XC) functional of your hybrid functional and use any pseudopotentials ...
Abdul Muhaymin's user avatar

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