K-point mesh and Monkhorst-Pack

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In summary, the K-point mesh and Monkhorst Pack are two different methods used in VASP for calculating electronic structures. The Monkhorst Pack is a type of k-point mesh that involves a regular sampling of the first Brillouin-zone with a shifted periodicity. The usage of these methods can vary depending on the research paper and the number of cells being used.
  • #1
ramana3797
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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.
 
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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
 

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