[CP2K-user] The problem of convergence of the wave function

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Dear all, 

I calculated the PDOS of a large system of 347 atoms, but the wave function 
did not converge there, oscillations were observed. After that, I decided 
to check the method for convergence on an optimized primitive cell of only 
13 atoms to make sure that the method is correct in such an easy case. It 
is worth noting that I need a very low temperature for calculations. First, 
I set the ELECTRONIC_TEMPERATURE to 300 Kelvin and the wave function 
optimization ended at step 49. At the ELECTRONIC_TEMPERATURE of 10 K - at 
77 steps, and when setting the parameter to 1 K - the optimization of the 
wave function did not occur even after 300 steps. 

What could be the reasons for such convergence in such a simple program? 
What parameters should be changed to fix it? (I have already changed the 
alpha parameter, but the situation has not fundamentally changed)


I've attached the input and basis set file that I've used. 

Thanks in advance for your assistance!
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