[CP2K-user] Spin polarized calculation and multiplicity?

[Gayathri Vijayakumar]

Dear all

I am performing an Unrestrticted Kohn Sham (UKS) DFT simulations using cp2k
In my system of 289 atoms, I have 1 Fe atom.
I would like to perform the DFT calculations for different spin states of 
Fe by varying the multiplicity and find out the ground state spin
Fe has 4s23d6 and for a +2 oxidation state, Multiplicity=2S+1=2*(4/2)+1 =5
But when I input 5 for multiplicity, the program throws an error
*" LSD: try to use a different multiplicity "*
When UKS is enabled, it requests a spin polarised calculation using alpha 
and beta orbitals.
When I did not give any multiplicity, the code provides
*Spin 1*
*Number of electrons:                                                      
  773*
*Spin 2*
*Number of electrons:                                                      
  772*
which indicates multiplicity =2. Is it the ground state spin state?
Can somebody help me in circumventing this error?
Thank you
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