[Pw_forum] "charge is wrong" error in semiconductor slab calculation

[Eyvaz Isaev]

Hi, 

The simplest way is looking at scf-output file, find a line like this

number of electrons = 26.00

and then you could ask yourself why I have 34.5 electrons.

So, checking (reading) your output file is a good idea, anyway.

Bests,
Eyvaz.  

--- On Wed, 12/3/08, J. J. Ramsey <jjr19 at uakron.edu> wrote:
> > > WARNING: integrated charge=    34.15000000,
> expected=    34.50000000
> > 
> > 34.5 electrons? it's a metal.
> 
> Interesting. Without the pseudohydrogens, there are only 32
> (valence) electrons.
> 
> 
> 
>       
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