SIC for delocalized unpaired electron

[Xiaoming Wang]

Hi all,

I have a general question. If the unpaired electron is imposed to be 
delocalized, would the SIC effect be zero with the method of MAURI_SPZ and 
SIC_SCALING_B=0?

Best,
Xiaoming
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20171202/9054b5bd/attachment.htm>