[CP2K-user] Geometry Optimization not converging.
Hepsibahpriyadarshini C
heps... at srmist.edu.in
Thu Jan 23 05:51:51 UTC 2020
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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