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Default Pseudopotentials



Our platform provides the GBRV 1 pseudopotential set at version 1.5 by default for the applications supporting the unified pseudopotential format (UPF).


We make use of the "pseudo-dojo" repository of norm-conserving pseudopotentials and use its scalar relativistic stringent subset at version 0.4 3.


For VASP we provide the sets of paw pseudopotential for each supported version.

Other Sources

The list of pseudopotentials currently available on the Quantum ESPRESSO website can be found in Ref 3 below.