[CP2K-user] How to NOT correlate core electrons when doing MP2

Kristina H kmhe... at uw.edu
Tue May 11 15:04:16 UTC 2021

Dear CP2K group,

I am doing some GAPW MP2 calculations on a single water molecule to 
familiarize myself with CP2K. I am wondering if there is a way to NOT 
correlate the O(1s) electrons when doing MP2. I have looked through the 
online manual (v8.1) and was not able to find a keyword for that.

Thank you for the help!

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