OptaDOS: A tool for obtaining density of states, core-level and optical spectra from electronic structure codes

Computer Physics Communications

Volumn 185, Issue 5, 2014, Pages 1477-1485

  Morris, Andrew J ^a   Nicholls, Rebecca J ^b   Pickard, Chris J ^a   Yates, Jonathan R ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Density of states; Density functional theory; EELS; Electronic structure; Optical spectra

Indexed keywords

DENSITY OF STATE; ELECTRON ENERGY LOSS SPECTRUM; ENERGY-LOSS SPECTROSCOPY; FIRST-PRINCIPLES CALCULATION; GAUSSIAN BROADENING; IMPORTANT FEATURES; LINEAR EXTRAPOLATION; OPTICAL SPECTRA;

ELECTRONIC STRUCTURE; TOOLS;

ELECTRON ENERGY LOSS SPECTROSCOPY;

EID: 84900675186     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2014.02.013     Document Type: Article

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