[CP2K-user] Compute the charge transfer for Na - Cl using CDFT

[mejdeddine mokhtar]

Dear cp2k users,

I try to use the CDFT implementation within cp2k to calculate the charge 
transfer in Na - Cl by constraining a positive charge on Na and a negative 
charge on Cl.  To this end, I struggled to make the script below and I hope 
you can help me to achieve that. Could you please all check if I did 
something wrong in defining the charge and the constraint atoms?    
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