ABINIT Discussion Forums

Dear all,

I strongly need to calculate the effective mass for holes and electrons. Is it possible to do so using ABINIT.

your help will be greatly appreciated.

Hi,

Did you find out how to calculate effective mass?

If yes, can you teach me?

Thanks
Lvmui

The most commonly used method is the parabolic effective mass model, the details of which can be easily googled. Currently such a procedure is not automated in Abinit so all the steps need to be done by hand.