« previous next »
Pages: [1]   Go Down

Author Topic: projection of phonon band  (Read 5710 times)

0 Members and 1 Guest are viewing this topic.

Offline Roc2019

  • Heavy QuantumATK user
  • ***
  • Posts: 56
  • Country: cn
  • Reputation: 0
    • View Profile
projection of phonon band
« on: July 10, 2020, 11:29 »
Dear Sir,

Is it possible to obtain the projection of phonon band on each atom?  Thank  you for sharing your script. 

Logged

Offline Troels-Markussen

  • QuantumATK Staff
  • Heavy QuantumATK user
  • *****
  • Posts: 42
  • Country: dk
  • Reputation: 3
  • QuantumATK staff
    • View Profile
Re: projection of phonon band
« Reply #1 on: August 4, 2020, 11:46 »
Hi,

Sure you can project on each atom. I have attached a slightly modified script, which projects on each atom (and plots the contribution from atom 0 and 1 - in this case they are all the same).

Regards,
Troels
Logged

Offline Roc2019

  • Heavy QuantumATK user
  • ***
  • Posts: 56
  • Country: cn
  • Reputation: 0
    • View Profile
Re: projection of phonon band
« Reply #2 on: August 5, 2020, 11:52 »
Thank you Dr. Markussen.   Better script. ;)
Logged
Pages: [1]   Go Up
« previous next »