[CP2K-user] [CP2K:20217] ADDED_MOS for my system?

[Michela Benazzi]

Good morning,

I am reaching out because I need ADDED_MOS in my input file (because I am 
including SMEAR under SCF), but I am not sure how many I should have.

I started with -1 and got some errors, and have tried different numbers but 
I am a little lost on how to select ADDED_MOS for a system undergoing an 
unknown reaction with an unknown final product.

The system in question: 64 Al atoms (T above melting point) and one 
molecule of CO2.

If you need any extra information to understand and give me advice, let me 
know and I will be happy to include it. Thank you kindly in advance!

Michela

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