[QE-users] Ion Intercalation

[Lorenzo Paulatto]

Probably you started with a wrong cell. To say more we need more detail.

kind regards

On 2020-11-22 12:30, HUSSAM BOUAAMLAT wrote:
> Dear QE users,
>
>  I am studying a 6 by 6 unit cell of an ion intercalated in between 
> bilayer graphene, I am doing a vc-relax of the cell and it gave me an 
> error :
>
> Error in routine scale_h (1):
>      Not enough space allocated for radial FFT: try restarting with a 
> larger cell_factor.
>
> I increased the cell_factor to 3 but it didn't converge if you could 
> give me advice on how to solve this problem I would really 
> appreciate it. Thank you.
>
> Best regards,
>
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