[CP2K-user] [CP2K:21563] Issue with multiplicity
Francesco Dellaversano
francescodellaversano66 at gmail.com
Sat Jun 21 17:27:25 UTC 2025
Hi, i am modeling a cathode material with cp2k and i am kinda new into
this, i did put 1 as multiplicity in the input and i am running UKS
calculations, at the end it gives me in the mulliken a spin moment of 2
corresponding of a 3 multiplicity material, can this happen if i did put 1
mult in the input? Should i proceed with the ''new'' multiplicity? Thanks
in advance.
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