[Ifeffit] Basic question in XANES calculation
Joji Kuniya
thinkpadt60 at silk.ocn.ne.jp
Thu Jul 26 15:11:26 CDT 2007
Dear Sirs
I am a beginner in XANES analysis. I tried to XANES simulation of Pt by
Artemis program.
Artemis stopped the calculation by memory limitation. I tried to down
cluster size and
RMAX parameter, and added "NLEG 4" after FMS sentence on feff.inp.
But Artemis stopped the calculation with the same warning again.
Please teach me how to make a good feff.inp file for XANES analysis.
My PC is a notebook type PC(ThinkPad T60 with 2G memory).
Thnak you.
Joji Kuniya
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