GPAW Interface

The GPAW interface allows CIDER functionals to be used in the GPAW code. CIDER has only been tested with the plane-wave mode of GPAW. It is recommended to use PAW setups (not pseudopotentials) because accurately computing the CIDER features requires an all-electron formalism. It is possible to run CIDER functionals with norm-conserving pseudopotentials (except for semilocal meta-GGA models), but it is not recommended.

This documentation assumes that you are familiar with the GPAW code and have a working installation of the software. For GPAW documentation, see the GPAW website.

The key user-facing component of the GPAW interface is the calculator module, which provides tools to initialize a CIDER functional object that can be used in GPAW. It also provides a subclass of the GPAW calculator object. See the calculator module documentation for examples and API documentation.

Note that CIDER does not support gpaw.new yet.

Contents:

• GPAW Calculator Interface