problems with periodic MP2

[katarína stančiaková]

Dear CP2K users,
I am trying to do a single point calculations of a zeolite system using 
MP2. However, after 300 steps SCF run did not converge (which itself I do 
not consider as a problem), but the total energies does not seem right for 
me.  They are in order of magnitude 10 000 a.u. and the fluctuations 
between iteration steps are of the same magnitude. I expect the total 
energy of the system to be around 450 a.u., which is a way lower as those 
numbers. As I have no experience with MP2, I have not a very much idea what 
can be wrong with my setup, or, if this kind of behavior is normal for MP2. 
I did the same calculation, but with the water molecule in the given unit 
cell, and there everything seems to be ok.

I have attached the input and output file.

Thank you for any comments!
Katarina
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