The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Bruno, (and new Forum subscribers since last Friday),

Please, show your input file, by following our Netiquette:
        http://www.abinit.org/community/?text=netiquette
e.g. We cannot guess how much ecut is set in your input. :-(
And ecut will depend on your pseudopotentials (or PAW?).
Which kind of pseudos are employed ?

In passing, (for the very new subscribers)
Please let me cite Xavier's latest e-mail again, as a reminder:
http://www.abinit.org/wws/arc/forum/2005-10/msg00106.html

Bon week-end...

Yours sincerely,
Masayoshi

On 2005/10/28, at 18:16, bruno.siberchicot@cea.fr wrote:

> Dear ABINIT'users,
>
> I'm trying to perform calculations on a  big 46 atoms oxyde. I obtain 
> the following warning at each electronic steps. Has anybody got a 
> solution? Is it a question of a too low cut-off energy?
> Yours
> Bruno Siberchicot
>
> mkdenpos : WARNING -
>   Density went < 0 at    317790 points
>   and was set to  1.00E-14.  Lowest was  -0.16E+00.
>   Likely due to too low boxcut or too low ecut for pseudopotential 
> core charge.