[CP2K-user] [CP2K:16653] No convergence

[Jonathan Torstensen]

Dear all,

Is the reason that my system doesn't converge that I have a too low MAX
limit in the SCF loop, or is there something wrong here?

PS. The .out file was too large to append.

Best

Jonathan

-- 
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/CABEx5tRrVBWqpwabYnrgh5sps2UyRozbb6G_rVyo%3DBFpQ47xmQ%40mail.gmail.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220301/d5b2837f/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: WaterPtMD.inp
Type: application/octet-stream
Size: 4119 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220301/d5b2837f/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: WaterPtMD.xyz
Type: application/octet-stream
Size: 1109 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220301/d5b2837f/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: PtMD-pos-1.xyz
Type: application/octet-stream
Size: 38775 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220301/d5b2837f/attachment-0002.obj>