Author Topic: print data of fatband  (Read 44 times)

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Offline Roc2019

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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. 

Online Troels-Markussen

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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: [Select]
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

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Re: print data of fatband
« Reply #2 on: July 4, 2020, 10:43 »
Thank you Dr. Markussen