Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach.

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. 103-128 2005 167 Computer Physics Communications 2 http://dx.doi.org/10.1016/j.cpc.2004.12.014 db/journals/cphysics/cphysics167.html#VandeVondeleKMPCH05