CDFT methods

Ananya Mondal ananya... at gmail.com
Sat Mar 14 14:43:16 UTC 2015


Dear cp2k developer and users,
I am curious about constrained DFT (CDFT) method  (Wu and van Voorhis
(Phys. Rev. A 72, 024502 (2005). Is it implemented in CP2K?

I found DDAPC_RESTRAINT
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/QS/DDAPC_RESTRAINT.html>
for calculation of charged system. Is it different from CDFT?
Thanking You.
with regards,
Ananya
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