[Ifeffit] Feff for > 175 atoms

s440697 at stud.uni-goettingen.de s440697 at stud.uni-goettingen.de
Mon Aug 20 03:59:25 CDT 2007

i tried to run feff with a atomcluster of 249 atoms (under linux) and got
this message:

You specified a cluster of 249 atoms for the FMS calculation.
This exceeds the hard wired limit of 175 atoms.
The cluster size was reset to 175 and the calculation will continue.

Then i made a feff-run with feff84_300.exe (under windows) with the same
249-atomcluster. This worked fine. But is there a linux-version for 300
atoms? Or is there a way to make a feff-run under linux with such big

I would be very thankful for an answer :-)

sincerely yours,
Eckhard Bosman

Eckhard Bosman
e.bosman at stud.uni-goettingen.de
+49 (0)551-39-14441
Raum: E0.104
Institut für Röntgenphysik
Friedrich-Hund-Platz 1
37077 Göttingen

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