[Wien] Carrier Density of ZrO2

[Avijit Ghosh]

On Fri, Jul 6, 2012 at 4:01 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

>  Check into whether BoltzTraP (a separate code from Wien2k) can do what
> you want, there is a link to the code on the unsupported page:
>
> http://www.wien2k.at/reg_user/unsupported/
>
> Also, refer to:
>
> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-February/016178.html
>
>
> On 7/5/2012 10:19 AM, Alex Animalu wrote:
>
>   Dear Wien2k Users,
> Pls, I am new to wien2k. I have successfully done a converged
> self-consistent calculation for ZrO2. Now, I need the carrier density
> (concentration) of the system. I know that lapw5 calculates charge densityand other information are in *.scf. Please, help me by guiding me to where
> I can find the carrier density (in unit of say 10^18 per cm cube) in my
> output or how to obtain it.
>
> Thank you very much for your help.
>
> _______________________________________________
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>
>
>
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-- 
***********************************************
Dr. Avijit Ghosh
Assistant Professor
Centre for Applied Physics
Central University of Jharkhand,
Ratu- Lohardaga Road,
Brambe, Ranchi
Jharkhand-835205
INDIA.
Mob: +919474403587
E-mail: avijit at phy.iitkgp.ernet.in
            avi_phy at rediffmail.com
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