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Pseudopotential Method Parameters

Type

Pseudopotential

Subtype

The following types of pseudopotentials are supported on our platform.

• Ultra-Soft (us)
• Norm-Conserving (nc)
• Projector-Augmented Wave (paw)

Precision

As explained here.

Exchange-correlation Functionals

The type of Exchange correlation functional for the pseudopotential is defined by the model functional parameter. Please consult this page for a review of the available pseudopotential functionals, implementing different approximations for the exchange-correlation.

Method Data

Method Data contains the list of pseudopotentials and related information.