Free-energy derivatives and structure optimisation within quasiharmonic lattice dynamics

MB Taylor, GD Barrera, NL Allan, THK Barron

Research output: Contribution to journalArticle (Academic Journal)peer-review

82 Citations (Scopus)
Translated title of the contributionFree-energy derivatives and structure optimisation within quasiharmonic lattice dynamics
Original languageEnglish
Pages (from-to)14380 - 14390
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume56
DOIs
Publication statusPublished - 1997

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