ATAT{\@}WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method (Q615166)
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scientific article; zbMATH DE number 5832420
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| English | ATAT{\@}WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method |
scientific article; zbMATH DE number 5832420 |
Statements
ATAT{\@}WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method (English)
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5 January 2011
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cluster expansion
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first-principles
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density functional theory (DFT)
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full-potential \texttt{LAPW} software tool
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formation energies
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alloy
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ordering
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disordered alloy
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0.7008745670318604
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0.7005301117897034
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0.6913366317749023
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0.6777734160423279
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