Data for "Lattice dynamics and electron-phonon coupling calculations using non-diagonal supercells"
University of Cambridge
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Lloyd-Williams, J., & Monserrat, B. (2015). Data for "Lattice dynamics and electron-phonon coupling calculations using non-diagonal supercells" [Dataset]. https://www.repository.cam.ac.uk/handle/1810/251429
All relevant data present in "Lattice dynamics and electron-phonon coupling calculations using non-diagonal supercells"
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CASTEP input files are compatible with CASTEP version 8.0 and later. For information on how to obtain a copy of CASTEP visit: http://www.castep.org -- The LTE research code was originally written by Neil Drummond and has been modified by Jonathan Lloyd-Williams and Bartomeu Monserrat. For further information, email jhl50 at cam dot ac dot uk -- The CAESAR research code was written by Bartomeu Monserrat. For further information, email bm418 at cam dot ac dot uk
lattice dynamics, phonons in crystal lattices, electron-phonon interactions
Publication Reference: https://doi.org/10.1103/PhysRevB.92.184301
This work was supported by the EPSRC [grant numbers EP/J017639/1 and EP/K013564/1].
This record's URL: https://www.repository.cam.ac.uk/handle/1810/251429
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Licence URL: http://creativecommons.org/licenses/by-sa/2.0/uk/
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