Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo-Reference-Cited by-同舟云学术

Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo

Published:2014-02 Issue: Volume:83 Page:341-348
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Poncé S.,Antonius G.,Boulanger P.,Cannuccia E.,Marini A.,Côté M.,Gonze X.

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference41 articles.

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4. Electronic excitations: density-functional versus many-body Green’s-function approaches

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