home/categories/cloud/jinzhezenggroup-computational-chemistry-agent-skills-quantum-chemistry-dft-vasp-static-skill-md
clouddevops
static
Prepare VASP static SCF input tasks from a user-provided structure and essential DFT settings. Use when the user needs single-point electronic structure/total-energy calculations with INCAR generation, KSPACING-based k-point policy (or explicit KPOINTS on request), and POTCAR mapping instructions.
maintainer
jinzhezenggroup
Обновлено 23.03.2026
Звёзды
32
Форки
10
quick start
Installation and usage
Prepare VASP static SCF input tasks from a user-provided structure and essential DFT settings. Use when the user needs single-point electronic structure/total-energy calculations with INCAR generation, KSPACING-based k-point policy (or explicit KPOINTS on request), and POTCAR mapping instructions.
Установка
$ install --globalskills.sh
Использование
После установки вы можете использовать этот skill, выполнив следующую команду в терминале:
skills use static