[CP2K-user] [CP2K:18733] Question erreurs about CLAYS
Lobna Saeed
lobna.saeed at gmail.com
Thu Apr 27 16:41:57 UTC 2023
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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