Published July 2, 2026
| Version v1
Dataset
Open
KV3Sb5 DFT and Wannier calculations
Authors/Creators
-
1.
Complexity and Topology in Quantum Matter
- 2. Julius-Maximilians-Universitat Würzburg Fakultät für Physik und Astronomie
Description
DFT calculations for KV3Sb5 kagome metal including relaxation, self-consistent, Wannier and bands calculations for the primitive unit cell.
Representative calculation for 2x2 and 2x2x2 supercell to obtain the total energies contours.
The calculations were done on the GCS Supercomputer SuperMUC-NG at Leibniz Supercomputing Centre (www.lrz.de).
Files
zenodo_135_vasp.zip
Files
(71.3 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:5c1673b4046f58eda3eb612745649880
|
71.3 MB | Preview Download |