Question erreurs about CLAYS

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ABDELILAH AYAD

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Apr 27, 2023, 7:07:37 AM4/27/23
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Hello to all
I have an error on cp2k codes for CLAYS "KAOLINITE" .
Capture d’écran 2023-04-27 110412.png

Lobna Saeed

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Apr 27, 2023, 8:06:34 AM4/27/23
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Hello, 

it should be something like that 

image.png
Kind regards,
Lobna. 

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ABDELILAH AYAD

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Apr 27, 2023, 12:34:27 PM4/27/23
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1.jpg
2.jpg

Lobna Saeed

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Apr 27, 2023, 12:42:05 PM4/27/23
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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.png

ABDELILAH AYAD

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Apr 27, 2023, 12:52:07 PM4/27/23
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