Dear all wien users,
A small bug was found in the program TELNES3.0 for the Wien2k_11a downloaded on 
Aug. 8th, 2011.

For orientation dependent energy spectrum for the case that contains two edges 
such as L2 and L3 edges, the format of the case.elnes files has an error for 
the following broadening procedure.

##  Energy, Re [spectrum], Im  [spectrum], Re [partial spectrum 1], Im [partial 
spectrum 1],
Re [partial spectrum 2], Im [partial spectrum 2].
^^
some ## characters should be included, or an error will occur when you run x 
broadening in the following procedure.
It can be corrected easily.

In the subroutine:
writeorientedenergyspectrum.f
(row 114)
 write(47,'(a)') '##  Energy, Re [spectrum], Im  [spectrum], Re [partial 
spectrum 1], Im [partial spectrum 1], ',&
                        'Re [partial spectrum 2], Im [partial spectrum 2].'
                         ^^
add                    ##
Recompile the telnes3, all will be ok!

Regards!
Zhen Chen 
2011-09-23 



   PhD. candidate  Zhen Chen
------------------------------
Prof. Jianqi Li's group, A06
Beijing Laboratory of Electron Microscopy 
Institute of Physics 
Chinese Academy of Sciences
P. O. Box 603 
Beijing 100190, China
Tel: 86-10-82648001
URL: http://www.blem.ac.cn/english/study-A06-1.asp 
        zchen at blem.ac.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: 
<http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110923/431c8dd6/attachment.htm>

Reply via email to