[Pw_forum] problem in determine cell_factor

ehsan targholi targholi at gmail.com
Wed Jan 15 17:27:33 CET 2014


hi
Dear all
i want to use of vc-relax .but it give this error
    '' Error in routine scale_h (1):
     Not enough space allocated for radial FFT: try restarting with a
larger cell_factor''

how i can determine the best value of cell_factor parameter for my cell?
my cell is graphene sheet with 55  atom of carbon



best regard

E.targholi
graduate student of chemistry
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