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Volumn 78, Issue 22, 2008, Pages

Effect of quantization of vibrations on the structural properties of crystals

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EID: 58149260232     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.224108     Document Type: Article
Times cited : (10)

References (39)
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    • Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See
    • Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See http://www.quantum-espresso.org
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    • Notice that for larger supercells there will be coupling between zone-center optical modes. In the case of higher dimensionality, this coupling may introduce a curvature in the double-well coordinate that has to be treated carefully.
    • Notice that for larger supercells there will be coupling between zone-center optical modes. In the case of higher dimensionality, this coupling may introduce a curvature in the double-well coordinate that has to be treated carefully.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.