[CP2K-user] [CP2K:21135] Graphene nano stripe (GNS) optimisation

[Giuseppe Zollo]

Dear All, 
I've been working for long time with QE.
Now I'm trying to get some results with CP2K (I'm new of this nice code).
A problem seems to arise for an edge patterned GNS I'm interested in. I 
hope to get some results with hybrid functionals that is very hard to 
obtain with plane waves as the unit cell is large. 
I get easy convergence only by using kpoints (no other attempt has been 
successful) and full periodic system (partial periodicity does not converge 
and system without kpoints and two unit cells along the stripe does not 
converge as well).
But the point Is that the structure, that I know is stable from plane waves 
QE calculations, is completely destroyed after few optimisation steps.
Maybe I'm missing something. 
Here I attach input, output and optimisation coordinates 
Any help will be appreciated, 
Regards 

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