[CP2K-user] Optimizing stretched Al(111) monolayer

[Luca]

Dear all,
I am trying to optimize a single layer of Al (111) in the (XY free) plane 
by constraining the Z component. Al (111) is stretched a = ~ 3 Ang.
Using a pure PW + PBE scheme, the system converges towards a lattice as 
reported in the attached file Al_111.pdb
Using cp2k I cannot reproduce the same result because the system 
reorganizes itself into smaller metal domains, breaking the original Al 
(111) lattice.
I tried with several XCs, but I could not reproduce the "metallic state" 
obtained as in the PW scheme, which is necessary to treat a more complex 
system.
Therefore, I don't really care about the correct behavior of this simple 
system, I want try to find a way to reproduce PW results using cp2k.
Do you have any suggestions on how to bias the result of cp2k towards the 
result obtained with PW-PBE scheme?

Thank you,

Luca


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