sk Skill · Hello-QM
single_point
CP2K single point energy calculation. Uses GTH pseudopotentials, Gaussian-plane-wave (GPW) method, and DZVP basis sets for periodic DFT.
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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json
- Host repository
- Hello-QM/catgo-LRG
- Host stars
- 199