[CP2K-user] Geometry Optimization not converging.

Hepsibahpriyadarshini C heps... at srmist.edu.in
Thu Jan 23 05:51:51 UTC 2020


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,

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