[QE-users] Ion Intercalation

HUSSAM BOUAAMLAT hussam.bouaamlat at usmba.ac.ma
Sun Nov 22 12:30:52 CET 2020


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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