[CP2K:9551] Re: k-point in CP2K 3.0 for GGA functional

[Conrad Johnston]

You're very welcome.

Regarding the optimal cutoff, what range of values have you scanned?  Are
you comparing energy differences?

Best wishes,
Conrad

On 12 Oct 2017 4:39 pm, "Ozan Dernek" <ozand... at gmail.com> wrote:

> Oh ! I am really sorry for my carelessness. I am still trying to get used
> to cp2k format. Thanks a lot !
>
> Regards,
> Ozan
>
> 12 Ekim 2017 Perşembe 18:21:26 UTC+3 tarihinde Conrad yazdı:
>>
>> Hi Ozan,
>>
>> What you're missing is that every keyword has a default value. Just
>> because a keyword is absent from your input,  does not prevent it from
>> defaulting to a value that is incompatible with your calculation. Please
>> try the previous advice.
>>
>> Best wishes,
>> Conrad
>>
>> --
> You received this message because you are subscribed to a topic in the
> Google Groups "cp2k" group.
> To unsubscribe from this topic, visit https://groups.google.com/d/
> topic/cp2k/9VrBMZTzn-A/unsubscribe.
> To unsubscribe from this group and all its topics, send an email to
> cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20171012/4c3bc489/attachment.htm>