[CP2K-user] [CP2K:16849] Optimization with hybrid functionals doesn't recognise the symmetry group!!

[Mozhdeh Mohammadpour]

Dear CP2K experts, 

I would like to cell optimize some polymorphs at the B3LYP level. I did it 
with PBE and hadn't experienced any issue.  
For the B3LYP method to work I need to use multiple unit cells and 
unfortunately, kpoint doesn't work with hybrid functionals. 
I have noticed that PBE found the space group of the polymorph correctly, 
but B3LYP couldn't recognise it. 
Any suggestions for that? 
Please find attached input and output files for PBE and B3LYP. 

Kindest regards,
Mozhdeh

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