sk Skill · Hello-QM
dftbplus
Generate and manage DFTB+ calculations. Use when the user requests DFTB+, tight-binding DFT, SCC-DFTB, or needs fast approximate DFT for large systems or MD.
Open on skills.sh ↗read 2026-09-15
- installs 8w
- 0
- 30-day movement
- starts with the next reading
- Related entries
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- Host repository
- Hello-QM/catgo-LRG
- Compatible with
- Requires DFTB+ installed on the HPC target. Slater-Koster parameter files must be available (e.g., 3ob, matsci, mio sets from dftb.org).
- Host stars
- 199