[Pw_forum] "charge is wrong"

[Paolo Giannozzi]

Francesca Costanzo wrote:

> The error looks like:
> -------------------------------------------------------------------------
> WARNING: integrated charge=   476.79997686, expected=   490.00000000 
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       from electrons : error #         1
>       charge is wrong
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
>       stopping ...
> --------------------------------------------------------------

some errors are self-explaining, others are not and may originate
from errors in data or peculiar conditions that are impossible to
locate and pinpoint on the basis of the error mesage alone. This
error belong to the second case, so more information is required

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy