[Wien] Optic with and without SO

[Xavier Rocquefelte]

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.rocquefelte at 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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