[CP2K-user] [CP2K:21648] SCF convergence

Sihem AZIZI sihemazizi85 at gmail.com
Wed Jul 9 18:18:18 UTC 2025


Dear all,

I ran a geometry optimization calculation for a 3-layer Ru slab. The 
calculation ended with the following warning:
 *** WARNING in qs_scf.F:542 :: SCF run NOT converged ***
I have attached the input and the output files.
Also, I would like to know how to add the dispersion and contribution of 
the VDW forces.
Thanks a lot in advance for your help

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