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
์
๋ฐ์ดํธ๋จ 2026. 3. 23.
์คํ
32
ํฌํฌ
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.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
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skills use static