[Wien] a small bug in TELNES3.0

Kevin Jorissen kevinjorissenpdx at gmail.com
Tue Sep 27 00:12:51 CEST 2011


Thanks for mentioning this.  I don't think it breaks the line (causing
the problem) on my system and compiler, but I'll change it so it works
for everybody.

cheers,

Kevin Jorissen
University of Washington
Seattle, WA, USA


2011/9/22 ZhenChen <zchen at blem.ac.cn>:
> 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
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