Questions about DDAPC

Yiming Yang yimingy... at gmail.com
Wed Jun 25 20:47:45 UTC 2014


Dear cp2k users,

I am trying to put some charge on some atoms of my system and I find the 
section DDAPC_RESTRAINT.

And I got some questions about the parameters setting within this section:

1.How can I set up the total charge of the atoms I want put charges on?

2.How can I decide the value of the keyword "STRENGTH" and "TARGET"?

Thank you for your attention and advise!

Best regards!

Yiming
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