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.