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

We present OptaDOS, a program for calculating core-electron and low-loss electron energy loss spectra (EELS) and optical spectra along with total-, projected- and joint-density of electronic states (DOS) from single-particle eigenenergies and dipole transition coefficients. Energy-loss spectroscopy...

Полное описание

Библиографические подробности
Главные авторы: Morris, A, Nicholls, R, Pickard, C, Yates, JR
Формат: Journal article
Язык:English
Опубликовано: 2014