A band structure can even be represented using weights proportional to the orbital content (so-called "Fat Bands"), in case of PAW calculation, see pawfatbnd, and related variables.
Different interpolation schemes for the band energies can be defined thanks to einterp. The Wannier interpolation is also available through the use of the wannier90 post-processor.
The band structure from a supercell calculation can be unfolded to the (large) Brillouin zone of the (small) primitive cell thanks to the fold2bloch post-processor. See the related topic_Unfolding.
Different plotting postprocessors exist to produce graphical representations of electronic band structures from ABINIT. The most
powerful is based on Abipy. Simpler tools also exist, and can be found in ~abinit/scripts/post_processing,
e.g. AbinitBandStructureMaker.py, plot_bandstructure.py or abinit_eignc_to_bandstructure.py.
Go to the top
Basic input variables:
... iscf [Integer for Self-Consistent-Field cycles]
... kptbounds [K PoinT BOUNDarieS]
... kptopt [KPoinTs OPTion]
... ndivsm [Number of DIVisions for the SMallest segment]
Useful input variables:
... einterp [Electron bands INTERPolation]
... iatsph [Index for the ATomic SPHeres of the atom-projected density-of-states]
... natsph [Number of ATomic SPHeres for the atom-projected density-of-states]
... ndivk [Number of DIVisions of K lines]
... pawfatbnd [PAW: print band structure in the FAT-BaND representation]
... ratsph [Radii of the ATomic SPHere(s)]
Go to the top
tests/v5/Input: t20.in
tests/v6/Input: t14.in
tests/v8/Input: t04.in
Go to the top