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Plane-wave Pseudopotential Method

The Plane-wave Pseudopotential Method is based upon the implementation of plane-waves as a basis set for representing the electronic wavefunctions of a material 1, as well as the adoption of pseudopotentials 2.

This method is widely used as an effective algorithmic recipe for the computational formulation and implementation of the DFT theoretical model.


This page explains the default conventions used for the method.


This page contains a list of the fundamental computational parameters involved in the Plane-wave Pseudopotential Method.


We introduce here the action for uploading a custom Pseudopotential file to our platform via the Subworkflow Editor Interface.


We discuss the parameters that limit the numerical precision of the plane-wave pseudopotential method here.

Structured Representation

This page contains an example structured representation for the method.

Important Settings

We explain under this page how important settings concerning the method can be set under the Subworkflow Editor Interface of Workflow Designer.