The ABINIT Users Mailing List ( CLOSED )

[sara yazdani <sarayazdani@yahoo.com>]

Dear Marcel,

Yes, it is finished, but the phonon frequencies are negative. Also, if the 
incomplete SCF cycle has made such problem, what should I do to correct the 
SCF cycle?

Thanks again for your kind attention to my case.
Regards,
Sara

--- On Mon, 27/10/08, Marcel Mohr <marcel@physik.tu-berlin.de> wrote:

> From: Marcel Mohr <marcel@physik.tu-berlin.de>
> Subject: Re: [abinit-forum] FR Calculation warning deliveries
> To: forum@abinit.org
> Date: Monday, 27 October, 2008, 7:59 AM
> in the last line of the log file I see:
> 
>   Calculation completed.
> .Delivered 15282 WARNINGs and     0 COMMENTs to log file.
> 
> So the calculation has finished like it should.
> 
> Best regards
> Marcel
> ________________________________________________________________________
> Marcel Mohr                   Institut für Festkörperphysik, TU Berlin
> marcel(at)physik.tu-berlin.de Sekr. EW 5-4
> TEL: +49-30-314 24442         Hardenbergstr. 36
> FAX: +49-30-314 27705         10623 Berlin
> 
> 
> On Mon, 20 Oct 2008, sara yazdani wrote:
> 
> > Dear Sir,
> >
> > Thanks for your kind replies to my emails.
> >
> > I have enclosed an input file which is to calculate
> the response function of the bulk system to homogeneous
> electric field.
> >
> > I have also enclosed the log file which shows the
> completed run, but it has already delivered something around
> 15000 warnings, most of them occurring for a warning called
> "cgwf3" which occurs for circulation around
> optimum energy!!!
> >
> > I have tested the same input for AlAs, the same
> warning occurred, but the number of it was only 15.
> >
> > Please let me know how to get rif of it, while as you
> see it has had its affect on the result as well.
> >
> > Regards,
> > Sara
> >
> > Send instant messages to your online friends
> http://uk.messenger.yahoo.com