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>