Electronic Band Structure and Phonon Dispersion with Heatmap

Running Abinit Response calculations
1

Hi,

I need some suggestions while creating two figures. I want to create these two figures -

  1. Electronic Bandstructure on a selected k-path with Heatmap
  2. Phonon Dispersion on a selected q-path with Heatmap

Can anyone suggest me how I can I obtain these figures?

Thanks

2

Hi sms,

I would suggest to generate a uniform grid of k-point in the planar section of your choice with a simple script for both sets of calculations. I am not aware of any particular utility that does that but you could use a simple double loop to generate this list of points (with python, c++, fortran etc) to be fed to your two sets of calculations.

Cheers,
Bogdan

3

Hi Bogdan,

Thanks for the response! You’re suggesting to do the calculation over all the points on a my choice of plane? What’d be on the third axis for the logarithmic value of heatmap?