[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
Hello,
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
cluster?
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
Germany
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