[CP2K-user] [CP2K:17713] DIIS unstable and no convergence

[mdsimula...@gmail.com]

Hi

I'm using DIRECT_P_MIXING and when DIIS kicks in, things become unstable.  
Any ideas what would be causing that?  I've included my input.  The system 
is copper oxide and I'm using PBEsol/pc-1 in the GAPW method.  Thanks! 
[image: Capture.PNG]

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