[CP2K-user] [CP2K:18734] Question erreurs about CLAYS
ABDELILAH AYAD
abdelilah.ayad at ump.ac.ma
Thu Apr 27 16:51:51 UTC 2023
YOU ARE MAROCCAN
Le jeu. 27 avr. 2023 à 16:42, Lobna Saeed <lobna.saeed at gmail.com> a écrit :
> xc section is missing?? try to look at the cp2k tutorials. they are sooo
> good and will put you on track.
> for example look here (https://www.cp2k.org/howto) It was very difficult
> at the beginning but with everyday training it gets easier
>
> it should be something like that or similar
> this is a very simple one. check if you need other functional or
> dispersion correction.
> [image: image.png]
>
> On Thu, Apr 27, 2023 at 6:34 PM ABDELILAH AYAD <abdelilah.ayad at ump.ac.ma>
> wrote:
>
>>
>>
>> Le jeu. 27 avr. 2023 à 12:06, Lobna Saeed <lobna.saeed at gmail.com> a
>> écrit :
>>
>>> Hello,
>>>
>>> it should be something like that
>>>
>>> [image: image.png]
>>> Kind regards,
>>> Lobna.
>>>
>>> On Thu, Apr 27, 2023 at 1:07 PM ABDELILAH AYAD <abdelilah.ayad at ump.ac.ma>
>>> wrote:
>>>
>>>> Hello to all
>>>> I have an error on cp2k codes for CLAYS "KAOLINITE" .
>>>> [image: Capture d’écran 2023-04-27 110412.png]
>>>>
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>>>> .
>>>>
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>>>
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