How to calculate Hall Conductivity?

Running Abinit Response calculations
1

Hi,

I would like to perform some calculation in a large unit cell of 56 atoms to obtain the Hall conductivity. I was planning to use the eph_mobility calculation. The tutorial provided here doesn’t represent clearly about how to calculate the Mobility vs Temperature . I would appreciate if someone comes up with a suggestion on how to perform the calculation based on the tutorial here eph_mobility_tutorial and which one is the dedicated file to obtain the graph (Mobility vs Temperature) I’m expecting.

Thanks

2

Hi sms,

Referring strictly to temperature dependence, the phonon limited mobility formalism incorporates it through the Bose-Einstein and Fermi-Dirac distributions. You can have a look at tmesh variable and its usage in order to meet your specific needs.

Cheers,
Bogdan

3

PS: with a 56 atom unit cell this will be quite challenging, you have to run the dfpt calculations for all irreducible atoms and directions.

4

Hi Bogdan,

Thanks for the suggestion. Could you please suggest me with which tag I can include the applied magnetic field? What is the default value for applied magnetic field in Hall mobility calculation?

5

Yeah! You’re so right. I had to struggle with this long calculation on DFPT calculation. Is there any basic guideline to speed up the process?