Hello Alex and AMSET users,
I am trying to calculate transport properties of Si. By default, it is considering certain number of bands (e.g. 3-12) to create deformation.h5 and wavefunction.h5 files for calculating scattering rates. For a particular band (e.g. 3) which is at conduction band minimum, even if I am trying to calculate scattering rates using --bands and --energy-cutoff tags, I am not able to get the properties for a single band.
I would like to calculate the properties of a single band (if it is at all possible). Please, help me understand the physics of band selection and its effect on transport properties.
Thank you in advance.
Regards,
Shiva