The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <xavier.gonze@uclouvain.be>]

Dear Yusia Rosee,

Although Pierre-Matthieu has indeed discovered  a too low limit for  
the FFT
size in the GW part of ABINIT, I think that there is another problem  
inside your input file.
Could you send it ?

Xavier

On 28 Jan 2008, at 19:59, Yusia Rosee wrote:

> Dear All,
>
> When I do the screening calculation in the GW calculation without  
> using the plasmon pole model, I get the following error:
>
> ......
> timing point number   20
> -cpu time  =       0.02 seconds
> -real time =       0.06 seconds
>
> setmesh: npwwfn =             6043 ; Max (m1,m2,m3) =     11     
> 11    11
> setmesh: npweps/npwsigx =     2801 ; Max (mm1,mm2,mm3) =     10     
> 10    10
>         addshell =    2
> setmesh: using method 1 with aliasing_factor =   1
>
> setmesh : finding a FFT mesh compatible with all the symmetries
>
> setmesh : divisor mesh119119119
>
> sizefft : ERROR-
> nbest =     2049
> is larger than any allowable FFT
>
> leave_new : decision taken to exit ...
>
>
> It seems related to the FFT grid. But when I decrease the cutoff  
> energies, I always get the same error.  So, how to solve this  
> problem, please?
>
> Thank you very much!
>
> Yusia