Hi, Some places I mentioned *q* instead of *k*. Please don’t be confused, I mean it* k points*. Thank you.
Best Hasan On Fri, Sep 12, 2025 at 3:26 PM Md Jahid Hasan Sagor <md.sa...@maine.edu> wrote: > Hi, > > I have a question about the behavior of wavevector ranges (|k| min → max) > when increasing the density of k meshes in BZ. > > For example, Material: FCC Gold, Grid schemes: Monkhorst–Pack, no shift > (i.e. includes Γ) > > Examples of grid sizes: > > - > Grid size Number of q-points > 19×19×19 6,859 > 30×30×30 27,000 > 34×34×34 39,304 > > When one increases the grid density (e.g. from 19×19×19 → 30×30×30 or > 34×34×34), should the range of wave vectors (minimum to maximum |q|) remain > the same? Or will the maximum |q| increase just by virtue of having finer > sampling? > > > Thank you > > > Best Regards > > Md Jahid Hasan > > PhD student, Mechanical Engineering > > University of Maine >
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