[CP2K-user] POWELL| Error in trust region
Sun Geng
gengs... at gmail.com
Sun Jan 17 01:16:31 UTC 2021
Hi,
I also notice that, CP2K only prints thousands of lines of the above error
message (" POWELL| Error in trust region ") in the standard error,
but the SCF get stuck in the first SCF (i.e. never finish one SCF) steps.
I attached my input file.
Thank you very much in advance.
Best,
Geng
在2021年1月16日星期六 UTC-8 上午11:37:15<Sun Geng> 写道:
> Hi,
> What does this error message means when I am using CP2K/ADMM method?
> "POWELL| Error in trust region"
> Thank you very much in advance,
>
> Best,
> Geng
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210116/e73c8f89/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: cp2k_hse06d3_opt.inp
Type: chemical/x-gamess-input
Size: 5427 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210116/e73c8f89/attachment.inp>
More information about the CP2K-user
mailing list