[CP2K-user] different version of cp2k different energy

[Xin Wei]

Hi Everyone, 

I did the geometry optimization using similar input files for the same 
structure but different versions of cp2k --cp2k6.1 and cp2k7.1. (The input 
files are attached) The final energy calculated is different and the 
difference is -339.071 KJ/mol. I am wondering what caused this difference. 
Are different versions of cp2k using different reference energy? If so, may 
I know what is the reference energy? 

Thanks a lot!

Xin
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