High-throughput density-functional perturbation theory...

Scientific Data 2018 / 5 Vol. 5

High-throughput density-functional perturbation theory phonons for inorganic materials

Petretto, Guido, Dwaraknath, Shyam, P.C. Miranda, Henrique, Winston, Donald, Giantomassi, Matteo, van Setten, Michiel J., Gonze, Xavier, Persson, Kristin A., Hautier, Geoffroy, Rignanese, Gian-Marco
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Volume:
5
Language:
english
Journal:
Scientific Data
DOI:
10.1038/sdata.2018.65
Date:
May, 2018
File:
PDF, 961 KB
english, 2018
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