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 3/23/2026
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