[CP2K-user] [CP2K:20817] #3744/#3745

[Frederick Stein]

Some issue from Github by DoumAAAAAA:

i wan to Optimation Ni111slab，It is used for amino adsorption energy test.
24 atoms.
I set the k-point to 4,4,1.
The nickel magnetic moment is 1.
The optional multiplicity is 25.
open UKS,smear.
use Rpbe+D3（bj）.
CUTOFF 550
REL_CUTOFF 55
ALPHA 0.4
NBROYDEN 12
but,the Scf no cover.
I'm using the cp2k 2024.1 version
Ni111.zip <https://github.com/user-attachments/files/17517972/Ni111.zip>

It is not known in terms of which parameters need to be modified

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