hi, in semiconductors/insulators the fermi energy can be placed at the top of the valance bands OR bottom of the conduction bands OR if you like anywere inside the gap. if mass of holes = mass of electrons then the fermi level could be placed in the middle of the gap. s.auluck
> Dear all, > >> Fermi energy is written in output whenever it is calculated, that is in >> any scf calculations for metals. > > How about the case for semi-conductors like TiO2? When calculations for > TiO2 > was achieved, I can't find any information about Fermi energy in my output > file. > > could anyone can help me. > > vega > > ============================================================== > Vega Lew ( weijia liu) > PH.D Candidate in Chemical Engineering > State Key Laboratory of Materials-oriented Chemical Engineering > College of Chemistry and Chemical Engineering > Nanjing University of Technology, 210009, Nanjing, Jiangsu, China > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > ....................................................................... Prof. Sushil Auluck Phone:+91-512-6797092/6148 Department of Physics +91-512-6798177(Home) Indian Institute of Technology Cell :+91-9305548667 Kanpur 208016 (UP) Fax :+91-512-6790914 India E-mail:sauluck at iitk.ac.in ...............................................:sauluck at gmail.com http://www.iitk.ac.in/phy/People/phy_facvis.html http://www.iitk.ac.in/phy/New01/profile_SA.html ....................................................................... ~
