[Ifeffit] Using more than one E0
Stefano Ciurli
stefano.ciurli at unibo.it
Fri May 28 04:45:51 CDT 2004
Bruce, here is another little kick...
In order to try to compute a "standard" for background calculation,
as suggested, and before running Artemis to try to do that (with the
grim results of having the program exiting) I had tried to run feff6
directly on the feff.inp file that I sent out yesterday in order to
use the chi.dat file suppositely produced by feff itself.
Unfortunately I do not find any chi.dat file produced. I used the
following options for the PRINT flag:
1 0 0 0 (the deafult)
1 0 0 1 (the most sentitive choice, for me)
1 1 0 0 (the desperate choice)
1 0 1 0 (same as above...)
all not working...
Is there a hidden (for me) way to have feff6 produce the chi.dat file?
Ciao,
Stefano
--
____________________________________________
Stefano Ciurli
Professor of Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
Viale Giuseppe Fanin, 40
I-40127 Bologna
Italy
Phone: +39-051-209-6204
Fax: +39-051-209-6203
"Fatti non foste a viver come bruti,
ma per seguir virtute e canoscenza"
Dante Alighieri - Inferno - Canto XXVI
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