[CP2K-user] [CP2K:21567] Flipping Spins by Manipulating .wfn file

[Vincent Luo]

Hello all,

I have the following question: say that I first do a high spin calculation 
using the attached input screen (MULTIPLICITY=13). Is there a 
straightforward way to flip the spin on half of the Cu atoms, and use that 
as a initial guess for a subsequent low spin (MULTIPLICITY=1) calculation?

Thanks,
Vincent

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