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

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


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

You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/66b26f60-8d0f-40bd-a514-7f0152f65ba9n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221207/2c772462/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 991670422991_.pic.jpg
Type: image/png
Size: 108384 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221207/2c772462/attachment-0001.png>

More information about the CP2K-user mailing list