[Pw_forum] Calculation on carriers density

[nicvok]

Dear PL Gong, 

you have to integrate the density of states from the bottom of your bands to a chosen chemical potential with respect to Fermi-energy at zero zero temperature and charge. Of course one has to include the weighting of holes and electrons (via the Fermi-Dirac-distribution function at temperature T). 
You will find further informations in many standard solid-state-textbooks. 

--------------------------------------------------------
Nicki Frank Hinsche, Dr. rer. nat.
Institute of physics - Theoretical physics,
Martin-Luther-University Halle-Wittenberg,
Von-Seckendorff-Platz 1, Room 1.07
D-06120 Halle/Saale, Germany
Tel.: ++49 345 5525460
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> Am 22.05.2015 um 12:00 schrieb pw_forum-request at pwscf.org:
> 
> Message: 1
> Date: Thu, 21 May 2015 20:49:19 +0800 (GMT+08:00)
> From: plgong <plgong at theory.issp.ac.cn <mailto:plgong at theory.issp.ac.cn>>
> Subject: [Pw_forum] Calculation on carriers density
> To: pw_forum <pw_forum at pwscf.org <mailto:pw_forum at pwscf.org>>
> Message-ID:
> 	<15d79d7.41251.14d7685577a.Coremail.plgong at theory.issp.ac.cn <mailto:15d79d7.41251.14d7685577a.Coremail.plgong at theory.issp.ac.cn>>
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> 
> Dear pwscf users,
>     As I know, when conductive bands or valance bands pass fermi level, we can use DOS to obtain carriers. 
> But the situation changes with muti-bands pass fermi level.
> Do anyone know how to calculate the carriers (holes and electrons) density when many bands pass fermi level?
> Someone suggested to calculate fermi surface in BZ, but I have no idea to get carriers density so far.
>      Please help me at your free time. 
> 
> Truely
> PL Gong

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