Clearer description in generated KPOINTS comment line #1842
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Change k-points/atom to k-points/number of atoms
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Change k-points / atom to k-points / number of atoms
Summary
As mentioned in #1841, the comment line in the Pymatgen-generated VASP KPOINTS file is somewhat misleading. This PR changes it from being # kpoints/atom to # kpoints/number of atoms in the comment line, which is also consistent with what's on the Materials Project documentation. This should make it clearer that the number of k-points would be higher for smaller systems.
Perhaps worth noting: there is still the very minor ambiguity in that pymatgen.ext.jhu takes
kppraas an input argument, whereaspymatgen.io.vasp.inputs.Kpoints.automatic_density()takeskppaas an input argument, but obviously the keywords should not be adjusted, and I think the documentation for the latter (which simply stateskppa= grid density) is accurate without being confusing. Therefore, I did not make any changes to the documentation.