k-point in CP2K 3.0 for GGA functional

Ozan Dernek ozand... at gmail.com
Thu Oct 12 15:39:04 UTC 2017


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 
>
>
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