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"Quickstep: Fast and accurate density functional calculations using a mixed ..."
Joost VandeVondele et al. (2005)
- 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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