swMATH ID: 19956
Software Authors: Timrov, Iurii; Vast, Nathalie; Gebauer, Ralph; Baroni, Stefano
Description: TurboEELS - a code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory. We introduce turboEELS, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate electron energy loss and inelastic X-ray scattering spectra in periodic solids. turboEELS is open-source software distributed under the terms of the GPL as a component of Quantum ESPRESSO. As with other components, turboEELS is optimized to run on a variety of different platforms, from laptops to massively parallel architectures, using native mathematical libraries (LAPACK and FFTW) and a hierarchy of custom parallelization layers built on top of MPI.
Homepage: http://cpc.cs.qub.ac.uk/summaries/AEXB_v1_0.html
Keywords: electron energy loss spectroscopy; inelastic X-ray scattering; time-dependent density functional perturbation theory; quantum ESPRESSO; linear response; Liouville-Lanczos approach
Related Software: turboTDDFT; Quantum Espresso; turboTDDFT 2.0; FFTW; LAPACK; BSEPACK; BerkeleyGW
Cited in: 2 Documents

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