[Wien] WARN : bad integral in ELNES
Salman Zarrini
salman.zarrini at tu-darmstadt.de
Thu Jan 16 16:25:18 CET 2014
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Dear Wien2k user,
In the ELNES calculation of B-K edge for Ni3B by TELNES3, warnings
followed by "bad integral" phrases like below show up in the
"case.outputelnes" in radial integration, while the other edge's ELNES
calculation can be smoothly calculated. I would be appreciated if
anybody let me know where such warnings are usually originated from
and how I can get rid of them.
:WARN : bad integral E= La= l= i= 0Typ= I= 0.30E-01err =
0.30E-03 or 1% q= 0.36E+00
:WARN : bad integral E= La= l= i= 0Typ= I= 0.18E-02err =
0.35E-04 or 2% q= 0.36E+00
:WARN : bad integral E= La= l= i= 0Typ= I= -0.76E-02err =
0.14E-03 or 2% q= 0.36E+00
Sincerely yours,
Salman Zarrini
E-mail: salman.zarrini at tu-darmstadt.de
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