FICHA · AUR

libvdwxc

A library for vdW-DF exchange-correlation functionals

  • Library
  • Dev
  • SCIENCE
  • Dependency only
official+codex · reviewed · Jun 2, 2026 description in en

Description

Computational science software can evaluate vdW-DF exchange-correlation functionals through a dedicated library.

This package is useful for developers and researchers working with electronic-structure calculations, density functional theory, or materials simulations that require van der Waals density functionals. It does not provide a full simulation application by itself.

Scientific results depend on the parent code, parameters, models, and input structures. Validate calculations against appropriate references.

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