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 PhD student - GILDA BM08 c/o ESRF (Grenoble, FR)