# Odd/even q-point mesh in harmonic phonon density of states (DoS) calculations [closed]

Total DoS for two different q-point grids, $$100\times100\times100$$ and $$101\times101\times101$$, are graphed above. The DoS for $$63\times63\times63$$, $$65\times65\times65$$, $$71\times71\times71$$, $$72\times72\times72$$, $$81\times81\times81$$, $$85\times85\times85$$, and $$101\times101\times101$$ are same (barely differences of $$0.0000000001$$). Even numbered grids have a similar DoS too but different from odd ones ($$100$$ vs. $$101$$ above). $$72\times72\times72$$ is the only odd (english) one that matches odd (math) grids.

Any reason for all of this? Which one should I use?

Find some data below (click to zoom in!):

• That color scheme is brutal to look at, yellow on white is hard to read. Might confuse people taking quick glances Oct 7 '20 at 1:17
• @TristanMaxson, haha, that is true, but I always find green, blue, and red challenging to differentiate, whereas yellow somehow works for me. In final presentations, I go for the classic RGB. Oct 7 '20 at 12:49
• Sadly, I know nothing of this problem though. Maybe it is a similar issue to k-points, does a shifted grid make sense in this context? That might be helpful to plot. Oct 7 '20 at 14:05
• This question appears to be abandoned. It can be reopened with clarification from the OP or if another user would like to provide an answer.
– Tyberius
Jan 23 at 13:12
• You don't necessarily need to delete this question, but I think a new question about odd/even meshes more generally would be interesting.
– Tyberius
Jan 23 at 19:31