[CP2K-user] Energy gap inconsistent with experiment

[Ref]

Hello everyone,

I tried to calculate the DOS of YBCO, but in the end, on the resulting 
graph, the formed value of energy gap  is tens of times larger than the 
expected result (obtained from experimental data - it should be about 20 
meV). I performed geometry optimization for a primitive cell, and then 
multiplied it to size 3 x 3 x 3 in a graphics editor with some doping. 
(about 190 atoms are in the final system.)
What could be associated with such a strong discrepancy? What general 
recommendations could you give to improve the result?


I've attached the input file that I've used. 

Thanks in advance for your assistance!
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