[CP2K-user] USE RELAX_MULTIPLICITY has WARNING

[ma...@gmail.com]

Hi,

I'm wondering have you found a solution to remove this WARNING?

Thanks
Hongyang

在2019年12月17日星期二 UTC+11 上午2:58:01<tb... at mail.ustc.edu.cn> 写道：

> When I optmize a O2 molcule with RELAX_MULTIPLICITY and DIAGONALIZATION.But 
> the optput file has some line "WARNING in s_square_methods.F:100 :: Found 
> non-uniform occupation".what is reason with it? please help me.
>
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