“New GPAW”

The GPAW backend is currently undergoing significant refactoring. Occasionally we distinguish between “new” and “old” GPAW in the documentation.

See also

Modernizing the GPAW code

To create a GPAW calculator using the new backend, use:

from gpaw.new.ase_interface import GPAW as NewGPAW

To explicitly use the old backend, use:

from gpaw.calculator import GPAW as OldGPAW

Default is to use old GPAW unless the environment variable GPAW_NEW is set.