"Quickstep: Fast and accurate density functional calculations using a mixed ..."

Joost VandeVondele et al. (2005)

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DOI: 10.1016/J.CPC.2004.12.014

access: closed

type: Journal Article

metadata version: 2020-02-21

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Joost VandeVondele, Matthias Krack, Fawzi Mohamed, Michele Parrinello, Thomas Chassaing, Jürg Hutter:
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach. Comput. Phys. Commun. 167(2): 103-128 (2005)

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