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)

72 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

Cite this