[CP2K-user] [CP2K:20946] DC-DFT; ADMM with Non-Hybrid DFA

[Will Borrelli]

Hi all, 
I am trying to implement DC-DFT using the ENERGY_CORRECTION feature. I want 
to do this using both a hybrid functional and a non-hybrid functional, but 
my system is too large to do this without ADMM. By doing ADMM T in the 
ENERGY_CORRECTION section with the hybrid functional everything works, but 
when I try this with the non-hybrid it does not. I get an error that ADMM 
can't work if there is no HF section within XC, which of course I do not 
have since the XC functional is not a hybrid. I do have a HF section under 
my ENERGY_CORRECTION section (see attached input file). 

Thanks in advance for any guidance. 

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