[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!
Kristina
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