[CP2K-user] [CP2K:16550] cell optimization strange values of the a, b, c vectors

[Jonathan Campeggio]

At the attention of the CP2K community,

I have done a cell optimization for a Pd 111 surface. From the experimental 
cif I have prepared a 111 unit cell. Then I have translated in the x y z 
directions of 2 3 1 respectively, using periodic boundary conditions.

In the attachment you can find input, output and the coordinates. I 
expected that the cell would "breath" in the 3 dimensions, while along x it 
is contracted. Is my idea wrong? Have I done mistakes in the input files.

Thank you for your competence and kindness.
Jonathan 

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