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

[Mauro Rovezzi]

Mauro Rovezzi wrote:
> 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?

[UPDATE]

I would like to add that the same input file *works fine* with FEFF8.2;
this means probably there is a problem in my compilation of the 8.4
version... strange (the same error on a 64 and 32 bit machines with
different compilers)!

Well, if I have more news about this issue I will post again.

Have a nice day,
M.

-- 
Mauro Rovezzi <rovezzi at esrf.fr>
PhD student - GILDA BM08 c/o ESRF (Grenoble, FR)