[Wien] ELNES (complex case)

Bertoni Giovanni giovanni at cemes.fr
Thu Nov 4 11:45:29 CET 2004


Dear all
to kevin in particular

I have another problem with calculating the elnes spectrum

I have lxdos=3 in tetra param.inc (to calculate cross dos)

for real calculation (inversion present) the case.qtl file is OK.

in the case of complex (-c) calculations (no inversion) I found that the
case.qtl has the decomposition of l,m partial charges only for l=1.
then I have an error in tetra (because it searches the decomposition up to
l=3).

I need to recompile lapw2c ?
with which parameters ?
please help me
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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