QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jerry on October 31, 2011, 06:54

Title: band calculation of Fe FCC
Post by: jerry on October 31, 2011, 06:54

Dear,
    When i calculate the band structure of Fe (FCC), the results show that there are three bands below the Fermi level. So i suppose that they are for the 3d⁶ electrons of Fe. Is this right?
   
Thanks a lot!
                                                                             Jerry

Title: Re: band calculation of Fe FCC
Post by: Anders Blom on October 31, 2011, 11:08

Sure