[CP2K-user] [CP2K:18161] cell optimization

elephant gogogo! qumingzizhemenan at gmail.com
Wed Dec 7 14:25:13 UTC 2022


Hello,

I use molecular dynamics to do the geometry optmization. After the geometry 
optimization, I change the runtype and methode to the cell_opt. But it 
shows the following mistake:
[image: 991670422991_.pic.jpg]

Best Regards
y

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