A K-point mesh and Monkhorst-Pack

[ramana3797]

TL;DR Summary

I am confused as how these are used in VASP calculations

Are the K-point mesh and monkhorst pack same. I was reading research papers using VASP and in some papers as the number of cells increases the Monkhorst Pack increases but in others the K-Point mesh decreases. Could some one clarify how these are used in the calculations.

 

[Skalhoef]

Hej ramana3797,

I am not sure (since I sometimes read in this context how people babble about symmetries being exploited), so take this with a grain of salt, BUT...

In this article of the VASP-Wiki

https://www.vasp.at/wiki/index.php/KPOINTS

you find a concrete definition of the k-points in a Monkhorst-Pack-mesh. Looking at this expression reveals then, that the mesh seems to be just a "regular sampling of the first Brillouin-zone" but shifted. (The periodicity of band-structures allows for this shift.)

If you found out more about this, I would be happy to hear about it.

Hälsningar
Sebastian