QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Roc2019 on June 27, 2020, 15:38

Title: print data of fatband
Post by: Roc2019 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. 

Title: Re: print data of fatband
Post by: Troels-Markussen 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

Title: Re: print data of fatband
Post by: Roc2019 on July 4, 2020, 10:43

Thank you Dr. Markussen