[Wien] a small bug in TELNES3.0
ZhenChen
zchen at blem.ac.cn
Fri Sep 23 05:26:20 CEST 2011
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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