[Pw_forum] help on "wrong total_weight"!

[Stefano de Gironcoli]

Dear Shangy,
what is your system ... i.e. what are your Bravais lattice vectors and 
values of nq1,nq2,nq3 in  your phonon grid ?
stefano

Paolo Giannozzi wrote:
> shangy wrote:
>
>   
>>      from frc_blk : error #         1
>>      wrong total_weight
>>     
>> So, what's wrong with it? 
>>     
>
> the case you are trying to run is not correctly implemented,
> I think. The algorithm transforming D(q) (force contants in
> reciprocal space) into D(R) (force constants in real space)
> assumes a uniform grid of q and the corresponding grid of R.
> In the case of q=0 (i.e. R=0) the logic used inside routine
> "wsweight" to assign weights breaks down. I never understood
> the logic of that routine so I don't know how to fix it.
>
> Paolo
>