subinadh...@gmail.com subinadhikari2018 at gmail.com
Sun Jan 30 08:37:00 UTC 2022

Dear users,
Any update on this issue? I encountered the same warning.

              ---- PDOS: start iteration on the KS states --- 
  Integrated absolute spin density  :                               
 *** WARNING in s_square_methods.F:98 :: Found non-uniform occupation ***
 *** WARNING in s_square_methods.F:100 :: Found non-uniform occupation ***
  Ideal and single determinant S**2 :                    0.750000       
Thanking you.

On Friday, May 21, 2021 at 6:53:37 AM UTC+5:45 ma455... at gmail.com wrote:

> 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<tb95... 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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