[Wien] intra-band contribution

Gavin Abo gsabo at crimson.ua.edu
Tue Jun 28 14:22:20 CEST 2016


FYI, it is possible to insert two plasma frequencies in case.inkram, but 
then two "Gammas for Drude terms" are needed as well for that on the 5th 
line [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01671.html 
].

On 6/28/2016 3:40 AM, emami seyyed amir abbas wrote:
> Dear users
>
> I am interested in obtaining dielectric curve as a function of energy 
> by considering intra-band contribution for a half metal compound. I 
> follow these steps:
> 1- x joint (mode=6) --- obtaining plasma frequencies for both spin up 
> and down which is written in .ouputjoint (up/dn)
> 2- x joint (mode=4)
> 3- addjoint-updn
> 4- x kram (putting plasma frequencies from step 1)
>
> but in step 4, we should insert just one plasma frequency while for 
> half metals the value of plasma frequency for spin up and dn are 
> differnt. Now what is the appropriated value for this input.
>
> thank you in advance.


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