[Ifeffit] [FEFF8.4] Re(x) is .le. zero in besjn

[joshua jason kas]

Hi Mauro,
This is probably a bug in feff. There is probably a workaround.
Can you send your feff.inp file and I will try to help find the right 
cards to make your file run. Also I will add this to a list of bugs to 
look at.
Cheers,
Josh


>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 01 Oct 2007 18:17:50 +0200
> From: Mauro Rovezzi <rovezzi at esrf.fr>
> Subject: [Ifeffit] [FEFF8.4] Re(x) is .le. zero in besjn ?
> To: Ifeffit-ML <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <47011DAE.2010508 at esrf.fr>
> Content-Type: text/plain; charset=ISO-8859-1
>
> Hi all,
>
> A little question about a FEFF8 error message I have and I cannot
> understand what it means :
>
> Re(x) is .le. zero in besjn
>
> This error is generated when I try to add the SCF to an EXAFS
> calculation on MnO (manganosite) and the SCF iteration is at step 9 of 30.
>
> Seen that the cards in the feff.inp file are properly used (I normally
> run SCF in EXAFS calculations) do you have any idea of what is going on?
>
> Thanks for your help, as usual!
>
> Mauro
>
> -- 
> Mauro Rovezzi <rovezzi at esrf.fr>
> PhD student - GILDA BM08 c/o ESRF (Grenoble, FR)
>
>
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