[CP2K-user] [CP2K:21439] Quickstep algorithm initialization and crashing.

[John Smith]

Hello everyone,

I'm currently running some simulations on transition metal oxides and would 
like to perform spin-polarized DFT calculations. However, I keep 
encountering a recurring *CPASSERT* error that I haven’t been able to 
diagnose. I've reviewed previous threads and updated my input files 
accordingly, but the error persists.

I’m trying to perform calculations with a fixed spin configuration and do 
not want to allow spin relaxation or spin flipping. If anyone could spot 
any obvious issues in my input file or offer guidance, I would greatly 
appreciate it.

Thanks in advance for your help!

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