[Ifeffit] RE: Ifeffit Digest, Vol 21, Issue 17

[Matt Newville]

Hi Chachi,

> When i run feff on artemis, for a FeCo system , It appears a error message:
> 	Feff 6L.02
> 	Fatal error : To many atoms in ATOMS list . Maximum is 5000
> Which is the problem, Feff6 not support above 500 atoms??
> wait your replys

Yes, that's right:  Feff6.02L cannot handle more than 500 atoms in
the path list.

It might make more sense to warn but ignore all the atoms after
the first 500, but currently Feff6 stops with an error message.
This an unfortunate holdover from an older time when an
   Error: Too many atoms. 
   Please edit the input file and try again

counted as user-friendly. ;).

For now, I recomennd editing the feff.inp file by hand (you may
have to browse through Artemis' "stash" directory to find it)  
to have fewer than 500 atoms in the cluster.

Sorry for the trouble, 

--Matt