Error in charges increases every OUTER_SCF cycle.

[John]

cp2k wizards,

It appears that the error in the electron density on grids increases every 
OUTER_SCF cycle in my recent builds of cp2k.  I am currently using the 
development and 2.3 branches of cp2k.  

These errors make the SCF very unstable, which is the opposite of the 
purpose of the OUTER_SCF.

I have noticed this happens in my intel and gnu builds of cp2k.  Almost all 
of the registry  tests pass in these builds.  Has anyone else noticed this 
issue with the OUTER_SCF?

I have attached sample output and input for a small case to demonstrate 
this issue with OUTER_SCF.

I would appreciate it, if anyone can explain why this happens.

Thanks.

John J. Low
Argonne National Laboratory
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