[Wien] ELF spectra

BARAILLE Isabelle isabelle.baraille at univ-pau.fr
Tue Apr 3 09:40:58 CEST 2007


Dear all,

I'm trying to calculated ELF spectra and compare my results with  EELS  
experiments.
Then, We  have calculates loss functions with OPTIC and we obtain at  
all times  for MgO and ZnO for examples, parasitic peaks certainly due  
to the fact that the real part and the imaginary part of epsilon  
become very weak in same time with the result that Im(1/epsilon)  
becomes infinite. As mentionned before in the WIEN list, we we tried  
to increase k-points but we have obtained an error in LAPW2 : ERROR IN  
LAPW2.

Could you help me to remove these parasitic peaks or to increase  
kpoints without error ?

We are looking forward to your reply. Thank you for any of your help.

Best regards,

 H. Martinez, I.Baraille and E. Amzallag



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