[Wien] Carrier Density of ZrO2

[Gavin Abo]

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 
> density and 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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