KSPACING documentation has extra 2 pi factor?
Posted: 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.