[CP2K-user] [CP2K:19370] default for kpoints

Benedikt Schier benedikt.schier at gmail.com
Tue Oct 17 08:59:46 UTC 2023


Dear Cp2k Group,

I am new to cp2k and currently working on a project where I have to use it. 
I am using cp2k 6.1 because I have a modified implementation of it that was 
not done for newer versions. I wanted to ask what exactly the default 
procedure is when I do not specify anything in the kpoint section. I always 
thought the default is simply one kpoint at the gamma point but when I 
explicitly defined the kpoint section with one kpoint at the gamma point, 
some features (like OT) got disabled which are available in the default 
case. So what exactly is the default when I do not define the Kpoints 
section?
Thanks in advance.

Best regards, 

Benedikt Schier

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