SCF converged but in the end process SCF not converged

Linda Sundarti linda... at gmail.com
Fri Jun 5 14:33:28 UTC 2015


Thank you Mr. Samuel for your reply..
My output file in attachment, but now still running.
I'm so scare that my running get not converged always..

On Friday, June 5, 2015 at 5:51:43 PM UTC+7, Samuel Andermatt wrote:
>
> Could you post the output file of your simulation, so we can understand 
> better what was going on?
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150605/92aa7a59/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: CsPWA1-proton-kond1.out
Type: application/octet-stream
Size: 212974 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150605/92aa7a59/attachment.obj>


More information about the CP2K-user mailing list