[ ソース: espresso ]
パッケージ: quantum-espresso-data (6.7-2)
quantum-espresso-data に関するリンク
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espresso ソースパッケージをダウンロード:
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外部の資源:
- ホームページ [www.quantum-espresso.org]
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Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Documentation)
Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving, ultrasoft, and PAW).
This package contains a limited set of pseudo-potentials and example files.