[Pw_forum] q2r.x error

[yelena]

Thank you very much for the answer!
So will using larger q grid fix this problem in next calculation?
Is there anyway to bypass this issue in existing results? and calculate 
lambda and Tc?

J.

On 27 Oct 2013 11:11, Paolo Giannozzi wrote:
> IIRC this error means that when you generate the star (i.e. the set
> of all vectors equivalent by symmetry) of a given wavevector q, you
> find that one of those vectors has already been generated before.
> Typically this points to a problem in the choice of the wavevector
> grid, or in the values of FFT dimensions for the wavevector grid.
>
> P.
>
> On Fri, 2013-10-25 at 14:48 +0200, yelena wrote:
>> Again, with the same question. With the same error, on different 
>> input.
>> Finished el-ph calculation. Trying to do q2r.x and get same error 
>> I'm
>> getting for a while  Please can anyone help me. What does this error
>> means?
>>
>>     Preparing gamma for a2F
>>
>>
>>
>> 
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>       Error in routine init (1):
>>        nc already filled: wrong q grid or wrong nr
>>
>> 
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>>       stopping ...
>>
>> Can anyone explain to me, please.
>>
>> Regards,
>> Jelena
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