[CP2K-user] Print DDAPC charge

Wan-Lu Li wanlu... at gmail.com
Wed Jan 13 19:37:28 UTC 2021


Dear all,

Is there anyone knowing how to print DDAPC charge (Bloechl charge) for each
atom in the output file? Similar with Mulliken and Hirshfeld printing, how
to set the keywords to control the DDAPC charge printing? Thanks in advance!

Best regards,
Wanlu
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