[CP2K-user] [CP2K:16415] How to accurately calculate the band structure of Silicon

[zhang swing]

Dear users and developers 
 
I would like to calculate the band structure of Silicon with cp2k and I am 
running into some problems. I found that the result of using two 
points（Fig.1） to calculate the energy band is different from the result of 
using all points(Fig.2).  
I don't know where the problem is， Therefore, I am looking for any 
suggestions on the issue and how to solve it.

Best regards,  
Dongliang[image: Fig.1.png]Fig.1
[image: Fig.2.png]Fig.2

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