Printing all the elements of mobility for metals
Posted: Thu Sep 27, 2018 8:44 am
Dear all,
I am using Si example for mobility calculation. I have two questions:
1- How can I print all the elements required for mobility calculation, including mode-dependent velocity, relaxation time and derivative of distribution function, as output? My goal is to recover the calculated mobility from a summation over all bands and k-points. In fact, I want to calculate electron thermal conductivity; so I need to have all the elements again.
2- Is it possible to do this simulation for metals? For example, I know QE have issues with the ph.x calculation of metals which is required for the phonon part of this calculation.
Thanks in advance for your kind responses.
Best regards,
Hamed
I am using Si example for mobility calculation. I have two questions:
1- How can I print all the elements required for mobility calculation, including mode-dependent velocity, relaxation time and derivative of distribution function, as output? My goal is to recover the calculated mobility from a summation over all bands and k-points. In fact, I want to calculate electron thermal conductivity; so I need to have all the elements again.
2- Is it possible to do this simulation for metals? For example, I know QE have issues with the ph.x calculation of metals which is required for the phonon part of this calculation.
Thanks in advance for your kind responses.
Best regards,
Hamed