[Wien] to all TELNES users

[Philippe Moreau]

L. D. Marks wrote:

>I have not used the TELNES code (yet). My biggest concerns (wish list)
>would be:
>a) Addition of bloch-wave code to correctly include dynamical diffraction
>effects; even a projected potential approximation might be useful.
>b) Are the directional selection rules, including breakdown of the dipole
>approximation correctly included?
>  
>

yes i think so

>c) Low-loss (plasmon/dielectric function) code.
>
>  
>
so far i use the optic code from WIEN to get the EELS spectra with some 
success. Still, with the incoming developpement in the band gap region 
(see abstracts in the just finished EMC 2004 meeting in Antwerp, 
Belgium), seems to me interesting  to implement q dependant dielectric 
functions (indirect band gaps ?) as well as to go beyond the independant 
particle RPA, namely at least include local field effects (see PRL from 
Vast et al on TiO2 88 (2002) 037601)

extra bit : i have made a programme (!?) (from Wessjohann papers in the 
70's) that uses optic dielectric functions to get the EELS low loss 
spectrum of uniaxial materials, including surface plasmon effects 
(relativistic effects included, i.e. Cherenkov radiations...., see 
Moreau and Cheynet, Ultramicroscopy 94 (2003) 293). I am quite prepared 
to give and discuss what i have done if it is of any use ? Some 
programming surely necessary...

best regards

Philippe Moreau

>>Dear colleagues,
>>
>>we've all been using the TELNES program for many years now, and I feel the time is right to have an update, fixing a few little things and including new features.  I would like to do this in the near future, in correspondence with C. Hebert, J. Luitz and P. Schattschneider of the Vienna group that originally contributed the program.
>>
>>I'd like to ask for input from all of you.  Do  you have any ideas - things that annoy you in the present version of the program, features you like to see included (both of technical and physical nature), or, even better, features you have implemented yourself and would like to share with the world?  We have quite a few ideas ourselves, but maybe you have something we haven't thought of.
>>
>>
>>Though there tends to be little TELNES related communication on the ML, there are definitely many users, and it would be very good to receive some feedback from many of you.  Perhaps it's best if you send your comments to me directly at kevin.jorissen at ua.ac.be  (I read the ML though and will certainly find your suggestions there as well).
>>
>>Thanks for your help,
>>
>>Kevin.
>>
>>    
>>
>
>-----------------------------------------------
>Laurence Marks
>Department of Materials Science and Engineering
>MSE Rm 2036 Cook Hall
>2225 N Campus Drive
>Northwestern University
>Evanston, IL 60201, USA
>Tel: (847) 491-3996 Fax: (847) 491-7820
>mailto:L-marks at northwestern.edu
>http://www.numis.northwestern.edu
>-----------------------------------------------
>
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>  
>


-- 
Dr. Philippe MOREAU

Maître de Conférences à l'université de Nantes

Institut des Matériaux Jean Rouxel
Laboratoire de Chimie des Solides
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