[Ifeffit] How to use "OVERLAP" card?
Jun Lin
jlin1978 at gmail.com
Tue May 8 03:32:15 CDT 2007
Hi everybody:
It is the first time I send mail to this list.
I wanna use OVERLAP of Feff8.4 to design a structure for my analysis, but
the program give error message as followed:
> Feff 8.40
> OVERLAP:
> Expert option, please read documentation carefully and check your
results.
> OVERLAP:
> Expert option, please read documentation carefully and check your
results.
> My test for OVERLAP
> Absorbing atom coords not specified.
> Cannot find multiple scattering paths.
> RDINP
> STOP statement executed
in my feff.inp, I wrote like this:
TITLE My test for OVERLAP
* pot xsph fms paths genfmt ff2chi
CONTROL 1 1 1 1 1 1
PRINT 0 0 0 0 0 0
POTENTIALS
* ipot Z element * l_scmt l_fms stoichiometry
0 26 Fe
1 7 N
OVERLAP 0
0 1 0.00
1 4 1.15
END
Is there anyone give me some suggestion? Thanks!
Lin Jun
--
Shanghai Institute of Applied Physics, Chinese Academy of Sciences
No. 2019, Baojia Road,
Jiading District, Shanghai,China 201800
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