[CP2K:6956] KPoint Implmentation in CP2K

Declan Scullion dec... at hotmail.co.uk
Sun Sep 6 19:26:36 UTC 2015


Thanks for all the help! Just a quick (and maybe pointless) question. Prior to the KPOINTS implementation in CP2K how was the Brillioun zone sampled? Was a single KPOINT used (gamma point maybe) or was a set number of KPOINTS used?



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