[CP2K-user] Unexpected output got

[Travis]

Hi,

Additionally, your CUTOFF is only 30 Ry. This should be ~400 Ry for your 
current setup (REL_CUTOFF = 40 Ry, DZVP-GTH basis).

-T


On Thursday, October 24, 2019 at 2:04:45 AM UTC-3, vasanth kumar wrote:
>
> Hi
>
> I ran geometry optimization for a molecule(file is attached). I saw a 
> vague output. What is the mistake in my input? pl suggest.
>
> Attaching input and out files
>
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