« previous next »
Pages: [1]   Go Down

Author Topic: band calculation of Fe FCC  (Read 1751 times)

0 Members and 1 Guest are viewing this topic.

Offline jerry

  • Heavy QuantumATK user
  • ***
  • Posts: 85
  • Reputation: 0
    • View Profile
band calculation of Fe FCC
« 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
Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5429
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: band calculation of Fe FCC
« Reply #1 on: October 31, 2011, 11:08 »
Sure
Logged
Pages: [1]   Go Up
« previous next »