[CP2K-user] computation does not yet treat fractional occupied orbitals

[yulei wang]

Hi, 


I want to ask whether MUTIPLICITY can be used with SMEAR? When I use them 
together, the WARNING appears as ‘WARNING: S**2 computation does not yet 
treat fractional occupied orbitals’. Can anyone give me some suggestions to 
deal with it. And here are my input file and out file. 


Thanks very much.


Best Regards,
Wang
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