[CP2K-user] [CP2K:20840] ScF is a convergent trend, but rebound in Ni(111)Optimization.

[冷对万夫]

Dear Marcella Iannuzzi

Due to my email being restricted, I registered for Google Mail.I thought
the email was sent, but it was blocked.
My problem is that optimizing SCF with nickel 111 does not converge. You
asked me if I had increased the step size.
First,thanks for your letter. I have tried to set the SCF to 128 steps, and
I have also tried to change ALPHA to 0.05 and temperature to 3000k in
smear, but it is still in the current situation.

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