[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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