Band-structure calculation using density-functional theory

From VASP Wiki
Revision as of 10:33, 19 May 2025 by Liebetreu (talk | contribs)

A short introduction.

Step-by-step instructions

Recommendations and advice

Practical examples

A practical example for calculating DFT band-structure can be found at the bulk-systems tutorial [here](https://www.vasp.at/tutorials/latest/bulk/part1/#bulk-e03) and [here](https://www.vasp.at/tutorials/latest/bulk/part2/#bulk-e04).

Related tags and articles

KPOINTS, KPOINTS_OPT

References