\texttt{OptaDOS}: a tool for obtaining density of states, core-level and optical spectra from electronic structure codes

DOI10.1016/J.CPC.2014.02.013zbMath1344.82007OpenAlexW2053947378MaRDI QIDQ314204

Rebecca J. Nicholls, Andrew J. Morris, Jonathan R. Yates, Chris J. Pickard

Publication date: 13 September 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2014.02.013

zbMATH Keywords

density of statesdensity-functional theoryelectronic structureEELSoptical spectra

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Uses Software

• OptaDOS
• CASTEP

Cites Work

• The Occurrence of Singularities in the Elastic Frequency Distribution of a Crystal

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