[CP2K:10068] DFTB3 SK_FILE fromat

[Sal]

Dear Juerg,
Thank you very much for your message.
This may explain the reason my system behaves abnormally (i.e. water 
molecules in the QM region interact strongly with the MM region to the 
extend that they form clusters near the QM boundary). 
I have one last question:
Is it meaningful to use the scc/a1-a2.spl files and add the 
SUBSYS/KIND/DFTB3_PARAM with the DIAGONAL_DFTB3 and HB_SR_PARAM=4.00?


Thanks again,
Saleh

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