Author Topic: print data of fatband  (Read 2306 times)

0 Members and 1 Guest are viewing this topic.

Offline Roc2019

  • Heavy QuantumATK user
  • ***
  • Posts: 53
  • Country: cn
  • Reputation: 0
    • View Profile
print data of fatband
« on: June 27, 2020, 15:38 »
Dear Sir,

I want to get the data of fatband such as projected on each atom or orbital, and plot it in the Origin.    As I save the picture to a txt file, it does not conclue the weight data.   So, how to get these weight data? 

Thank you. 

Offline Troels-Markussen

  • QuantumATK Staff
  • Heavy QuantumATK user
  • *****
  • Posts: 41
  • Country: dk
  • Reputation: 3
  • QuantumATK staff
    • View Profile
Re: print data of fatband
« Reply #1 on: July 3, 2020, 16:17 »
Hi, Once you have a FatBandstructure object, you can get the projection weights as
Code
weights = fat_bandstructure.weights()
This will return a matrix of dimention (n_projections, n_kpoints, n_bands). See also https://docs.quantumatk.com/manual/Types/FatBandstructure/FatBandstructure.html Regards, Troels

Offline Roc2019

  • Heavy QuantumATK user
  • ***
  • Posts: 53
  • Country: cn
  • Reputation: 0
    • View Profile
Re: print data of fatband
« Reply #2 on: July 4, 2020, 10:43 »
Thank you Dr. Markussen