ABINIT

Contents

ABINIT#

ABINIT is a density-functional theory code based on pseudopotentials and a planewave basis.

Abinit does not specify a default value for the plane-wave cutoff energy. You need to set them as in the example at the bottom of the page, otherwise calculations will fail. Calculations wihout k-points are not parallelized by default and will fail! To enable band paralellization specify Number of BanDs in a BLOCK (nbdblock).

Pseudopotentials#

Pseudopotentials for ABINIT are available on the pseudopotentials website.