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quantum-espresso
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
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fl-sean03
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๋ฐ์ดํธ๋จ 2026. 1. 20.
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quick start
Installation and usage
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
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skills use quantum-espresso