[Pw_forum] kpoint_grid & npk

Paolo Giannozzi giannozz at nest.sns.it
Mon Apr 23 09:30:45 CEST 2007


On Apr 23, 2007, at 8:08 , Paul M. Grant wrote:
> To All…where is the default for npk set that is fed to kpoint_grid  
> and what governs the choice?  For a MP grid of 100^3 that’s only a  
> million! (just kidding ;)…)
there is no "default" for the number of k-points; there is a
maximum allowed number of k-points, defined in
Modules/parameters.f90

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy





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