[Ifeffit] "Hard tests failed in fovrg"

srihari velaga vsrihari_kjgm at yahoo.co.in
Thu Oct 28 23:43:21 CDT 2010


Hi all,
         I am trying to fit Cd kedge EXAFS data of CdO and CdO-CaO solid 
solution.
Like many others I ended with “Hard tests failed in fovrg. Muffin-tin radius may 
be too large; coordination number too small“error.
Professor John, mentioned this may be due to insufficient grid size in 
calculating the phase shifts and he advised to post the "feff.inp", to have a 
look at it. But I have 38 feff.inp files in total (corresponding to CdO, solid 
solutions of CdO-CaO at various compositions and for dopents as well). I feel it 
will be hard to look into this may files, for any one.
 
         I will be thankful if anyone help me, in how to overcome this problem. 
Here with I am attaching the "feff.inp" of CdO. Please tell me how to modify 
feff.inp file such that I can do myself for the rest of feff files
 
Thanks in advance.
Srihari. V
 VELAGA.SRIHARI,
DAE RESEARCH FELLOW,
X-RAY AND CRYSTAL GROWTH SECTION,
MATERIAL SCIENCE DIVISION,
INDIRA GANDHI CENTRE FOR ATOMIC RESEARCH,
KALPAKKAM,TAMILNADU-603102,
INDIA. 

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