[Wien] ELNES (intensity versus angle)

[Hajar Nejati]

Dear Dr.Blaha and wien2k users
I am calculating the ELNES spectrum
with TELNES3 program in wien11 for graphane structure(K  C edge) .
The case.innes file is:
 
Graphane C K edge of first atom. 
1           (atom) 
1, 0        (n, l core) 
285        (E-Loss of 1st edge in
eV) 
300   (energy of the incident electrons
in keV) 
0.0 45.0 0.05        (minimum energy,
energy step, maximum energy) 
3.06  1.87   (collection semiangle,
convergence semiangle, both in mrad) 
5 2   (NR, NT, defining the integration
mesh in the detector plane) 
0.5   (spectrometer broadening in eV) 
MODUS

angle                (dscs wrt what?) 
END
 
I have no problem when using “energy”
for MODUS keyword, but when using “angle” for MODUS keyword in
case.innes, this error appears:
 
forrtl: severe (174): SIGSEGV,
segmentation fault occurred 
Image              PC               
Routine            Line        Source 
telnes3                00000000004B7727   
averagedangularxs               76    averagedangularxspectrum.f 
telnes3                 0000000000409812     
averagedangularsp               24     averagedangularspectrum.f 
telnes3                 000000000040C255    
calculateangulars                  30     calculateangularspectrum.f 
telnes3                 0000000000414539     
MAIN__                                       119    elnes.f 
telnes3                 00000000004037DC     
Unknown                              Unknown      Unknown 
libc.so.6    00000036A501ECDD  
Unknown                             Unknown    Unknown 
telnes3            00000000004036D9 
Unknown               Unknown  Unknown 
0.214u 0.051s 0:01.98 13.1%	0+0k
1600+296io 0pf+0w 
error: command   /softs/wien11/telnes3
telnes3.def   failed 
 
what should I do to get “intensity
versus angle” spectrum?
thanks
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