Hi Xiaoming
The method LIST for SMEAR is not working/implemented with LSD, since only one LIST of occupations can be specified in the input. You can only merge the lists from your LSD case using RKS, which results in
LIST 2 2 2 1 1
Though this smearing method might be useful for specific applications like atomic calculations, I doubt that it is well suited for applications in general.
Matthias
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Hi Xiaoming
Technically, it should be possible like for RKS to impose fixed occupation patterns both for alpha and beta spin orbitals in the case of UKS.