[CP2K-user] My CP2K problem didn't converge with vibration
qjh103... at gmail.com
qjh103... at gmail.com
Mon May 6 14:00:47 UTC 2019
[image: 1.jpg][image: 2.jpg] <about:invalid#zClosurez>
Hello everyone!
I encount a problem about convergence, and my input file has been uploaded.
It's a single point (energy) calculation about a helium atom and a 2D MoS2
material.
Well, it's not wise to run thousands SCF loops, but I wanted to see if it
would converge finally. Obvisouly, it didn't converge.
Was I choosing a wrong algorithm?
Thanks for your help!
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