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quantum-espresso-runner

Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation

์†Œ์Šค ๋ณด๊ธฐcomputational-chemistry
a5c-ai
maintainer
a5c-ai
์—…๋ฐ์ดํŠธ๋จ 3/25/2026
์Šคํƒ€
538
ํฌํฌ
33
quick start

Installation and usage

Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation

์„ค์น˜
$ install --globalskills.sh
์‚ฌ์šฉ๋ฒ•

์„ค์น˜ ํ›„ ํ„ฐ๋ฏธ๋„์—์„œ ๋‹ค์Œ ๋ช…๋ น์„ ์‹คํ–‰ํ•˜์—ฌ ์ด ์Šคํ‚ฌ์„ ์‚ฌ์šฉํ•  ์ˆ˜ ์žˆ์Šต๋‹ˆ๋‹ค:

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