computational-chemistryresearch
quantum-espresso
Use when working on first-principles materials calculations with Quantum ESPRESSO, especially SCF, band structures, DOS, phonons, electron-phonon coupling, Fermi surfaces, or charge-density analysis.
maintainer
ZimoLiao
Actualizado 4/4/2026
Estrellas
328
Forks
44
quick start
Installation and usage
Use when working on first-principles materials calculations with Quantum ESPRESSO, especially SCF, band structures, DOS, phonons, electron-phonon coupling, Fermi surfaces, or charge-density analysis.
Instalación
$ install --globalskills.sh
Uso
Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:
skills use quantum-espresso