home/categories/machine-learning/a5c-ai-babysitter-library-specializations-domains-science-nanotechnology-skills-vasp-dft-executor-skill-md
machine-learningdata-ai
vasp-dft-executor
VASP DFT calculation skill for electronic structure, geometry optimization, and property prediction of nanomaterials
maintainer
a5c-ai
Mis à jour 3/25/2026
Étoiles
538
Forks
33
quick start
Installation and usage
VASP DFT calculation skill for electronic structure, geometry optimization, and property prediction of nanomaterials
Installation
$ install --globalskills.sh
Utilisation
Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :
skills use vasp-dft-executor