[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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