Could you give more details ... for instance the sequence of
calculations you did to obtain epsilon2 in both cases.
Le 13/01/2017 à 20:24, Nacir GUECHI a écrit :
Thanks for your response. The calculation was done without SP in the 2
cases.
/******************************************************
*Nacir GUECHI*
/
/Dr. Physique de la matière solide./
/Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa
<http://www.univ-medea.dz/fr/>, Algeria (www.*univ-media*.dz)./
/Laboratoire d'études des surfaces et interfaces des matériaux solides
(L.E.S.I.M.S), université Sétif1 (Algeria)/
/http://laboratoires.univ-setif.dz/L.E.S.I.M.S//
Le Vendredi 13 janvier 2017 20h04, Xavier Rocquefelte
<xavier.rocquefe...@univ-rennes1.fr> a écrit :
I imagine that you have done a spin-polarized calculations. If so, you
must sum the spin-up and spin-down contributions when you are doing
the epsilon2 spectrum without SO.
Cheers
Xavier
Le 13/01/2017 à 19:06, Nacir GUECHI a écrit :
Dear Professor Peter Blaha and Wien2k users.
I calculated the optical properties of a compound without SO effect
then I recalculated it with SO effect. I found that the intensity of
peaks in the epsillon2 spectrum of the case with SO is practically
double than that of the case without So. My query: is this normal ?
which case we should take?
/******************************************************
*Nacir GUECHI*
/
/Dr. Physique de la matière solide./
/Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa
<http://www.univ-medea.dz/fr/>, Algeria (www.*univ-media*.dz)./
/Laboratoire d'études des surfaces et interfaces des matériaux
solides (L.E.S.I.M.S), université Sétif1 (Algeria)/
/http://laboratoires.univ-setif.dz/L.E.S.I.M.S//
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