[CP2K-user] [CP2K:17201] Understanding the &BS section

ASSIDUO Network lenardcarroll27 at gmail.com
Wed Jun 22 07:50:14 UTC 2022


Hi there, I was going through the &BS ALPHA and BETA sections, and I don't 
really understand how to set up a spin polarized triplet state from these 
sections. I checked some tutorials available and some questions asked here, 
and I am still confused. Can someone point me to some literature to read to 
figure it out or explain it to me?

Kind regards,
Lenard

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