[Wien] ELNES spectra

[Jorissen Kevin]

the k-mesh is used only by the tetra program, not at all by telnes.
If your dos is nonzero and your elnes is nonzero, then there is a different mistake, which I cannot guess now.

regards,
 
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens Bertoni Giovanni
Verzonden: wo 3-11-2004 9:35
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] ELNES spectra



Dear users,
I have problems with calculating ELNES spectra in a case of a mesh of
k-points 1-D (generated with kgen).
all k-points are along the z direction.
I use: x initelnes (after prepared case.innes), then x tetra and x telnes
I can calculate DOS (tetra works), but when I calculate EELS (x telnes)
I obtain a null spectrum (it is zero everywhere).
Can this come from the 1-D mesh ?
Which are the input files needed by telnes? (it is not indicated in the
manual).
thanks

-------------------------------------------------------
Giovanni BERTONI
CEMES/CNRS - 29 Rue J. Marvig - BP 4347
31055 Toulouse Cedex 4 - FRANCE
Tél: 33 (0)5 62 25 78 22 - Fax: 33 (0)5 62 25 79 99
e-mail: giovanni at cemes.fr
http://www.cemes.fr
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