[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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