Route GPAW DFT requests to task-specific subskills based on user intent. Use when the user asks for GPAW workflows and you must decide between static SCF, relaxation, DOS, or band-structure task preparation. This orchestration skill dispatches to the correct GPAW subskill and enforces consistent handoff to submission skills.
At a glance
This skill is for Research and helps you route dft calculations to appropriate gpaw workflow, prepare static scf gpaw simulations, and set up geometry relaxation with gpaw.
git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills
cp -r computational-chemistry-agent-skills/quantum-chemistry/dft-gpaw ~/.claude/skills/dft-gpaw
Setup, runtime and requirements describe jinzhezenggroup/computational-chemistry-agent-skills, the repo this skill ships in.
DftGpawcomputational-chemistryDensity Functional TheoryQuantum Chemistryworkflow-orchestration
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