[CP2K-user] Spin Contamination
ma...@gmail.com
mario... at gmail.com
Thu Dec 3 13:39:51 UTC 2020
Dear CP2K Community,
I have not managed to find a keyword to print out the spin contamination
for radicals. I've tried keywords which have been mentioned in various
threads within this forum, but I've been unsuccessful. Is there a specific
keyword or maybe it is available for only specific methods?
Best Regards,
Mario
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