KSPACING documentation has extra 2 pi factor?

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asrosen
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KSPACING documentation has extra 2 pi factor?

#1 Post by asrosen » Tue Aug 26, 2025 3:53 am

I am reading https://www.vasp.at/wiki/index.php/KSPACING, and this led to some initial confusion. Is the 2 pi factor intended to be in the expression for N_i? I believe this may be an extra factor based on my tests of converting KSPACING to the number of k-points. That said, this may also just be a matter of convention because I believe it is usually that a_i . b_j = 2 pi delta_ij rather than delta_ij. This was also noted by my colleagues at https://github.com/materialsproject/cus ... ils.py#L25.


andreas.singraber
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Re: KSPACING documentation has extra 2 pi factor?

#2 Post by andreas.singraber » Mon Sep 01, 2025 2:03 pm

Hello!

Sorry for the late reply! Thanks for making us aware of this... I will have a closer look and report back, please stay tuned...

All the best,
Andreas Singraber


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