SCF converged but in the end process SCF not converged

[Linda Sundarti]

Thank you Mr. Rolf for your answer.

Okay, I've checked my temperature. How to reduce that temperature so that 
my running be better?

About the geometry, I will repair it. Mr. Rolf, what the programe do you 
use to get right geometry? 
The programe that I used is chemsketch and sometimes I use chembiooffice.

Thank you for your attention



On Friday, June 5, 2015 at 10:22:41 PM UTC+7, Rolf David wrote:
>
> Hi
>
> Just from the output, the temp is very high (20000-40000)K 
>
> And the geometry seems wrong (some heavy atoms are at 0.8A)
>
> I'm guessing the problem comes from the input geometry or check the 
> trajectory from your job
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150605/cb584f72/attachment.htm>