[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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