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