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 -------------------------------------------------------- > Am 22.05.2015 um 12:00 schrieb pw_forum-requ...@pwscf.org: > > Message: 1 > Date: Thu, 21 May 2015 20:49:19 +0800 (GMT+08:00) > From: plgong <plg...@theory.issp.ac.cn <mailto:plg...@theory.issp.ac.cn>> > Subject: [Pw_forum] Calculation on carriers density > To: pw_forum <pw_forum@pwscf.org <mailto:pw_forum@pwscf.org>> > Message-ID: > <15d79d7.41251.14d7685577a.coremail.plg...@theory.issp.ac.cn > <mailto:15d79d7.41251.14d7685577a.coremail.plg...@theory.issp.ac.cn>> > Content-Type: text/plain; charset=UTF-8 > > 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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