[CP2K-user] Geometry Optimization not converging.

[shixun sun]

can you attach your input file,or maybe you could try OPTIMIZER, choose the 
befitting basis 

在 2020年1月23日星期四 UTC+8下午1:51:52，Hepsibahpriyadarshini C写道：
>
> Hi,
>
> I am trying to optimise the geometry of  Ag2O using diagonalisation 
> method. I have tried all possible ways by changing scf, force and mixing 
> values. I require K points for my calculation that's why I am going with 
> diagonalisation method. Can somebody please clarify
>
> Yours Sincerely,
> Hepsibah.C
>
>
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