CP2K single point energy calculation. Uses GTH pseudopotentials, Gaussian-plane-wave (GPW) method, and DZVP basis sets for periodic DFT.
$npx -y skills add hello-qm/catgo-lrg --skill cp2k-staticInstalls into the current project.
Run `npx skills use "https://github.com/hello-qm/catgo-lrg" --skill "hello-qm/catgo-lrg/cp2k-static"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/hello-qm/catgo-lrg" that are relevant to the current task. Run `npx skills add "https://github.com/hello-qm/catgo-lrg"` and select the relevant skills, then follow their instructions.