Author Topic: DOS calculation  (Read 2737 times)

0 Members and 1 Guest are viewing this topic.

Offline jerry

  • Heavy QuantumATK user
  • ***
  • Posts: 85
  • Reputation: 0
    • View Profile
DOS calculation
« on: August 31, 2012, 05:19 »
Dear,

When i tried to calculate the DOS of a zigzag graphene nanoribbon, i found that if i choose the bands_above_fermi_level to be all in the VNL, the parameter of this in script is none. Why does this happen? Is this a bug?

Offline Nordland

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 812
  • Reputation: 18
    • View Profile
Re: DOS calculation
« Reply #1 on: August 31, 2012, 06:57 »
It is because it is the default behavior.

Offline jerry

  • Heavy QuantumATK user
  • ***
  • Posts: 85
  • Reputation: 0
    • View Profile
Re: DOS calculation
« Reply #2 on: September 1, 2012, 07:00 »
Thank you very much!