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

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

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Message: 1 Date: Mon, 01 Oct 2007 18:17:50 +0200 From: Mauro Rovezzi Subject: [Ifeffit] [FEFF8.4] Re(x) is .le. zero in besjn ? To: Ifeffit-ML Message-ID: <47011DAE.2010508@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 PhD student - GILDA BM08 c/o ESRF (Grenoble, FR)

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