This page gives hints on how to generate the electronic DOS and related topics with the ABINIT package.
_DOS file can be produced either using the tetrahedron method or smearing
approaches. The partial (orbital weighted) DOS can also be obtained. See the
detailed explanation in prtdos.
Different plotting post-processor allows one to represent the DOS, including Abipy.
Related Input Variables¶
- dmatpawu initial Density MATrix for PAW+U
- dosdeltae DOS DELTA in Energy
- 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
- pawprtdos PAW: PRinT partial DOS contributions
- ratsph Radii of the ATomic SPHere(s)
Selected Input Files¶
- PAW1 lesson, section on Plotting PAW contributions to the Density of States