[QE-users] Calculating the Effective Mass of Silicon

[Sai Pavan Chitta]

Dear All,

I have been trying to calculate the effective mass of silicon from the
curvature of LUMO of the silicon band structure along the Gamma - X
direction. From the curvature, the effective mass is calculated by taking
its inverse and multiplying it with the square of hbar.

I have tried to include the data from the bandx.out.gnu file and converting
the appropriate units to SI by using the conversion factors as given in the
bandx.out file. I have not been able to calculate the effective mass
correctly. Kindly help me with this calculation.

Thanks and Regards

Chitta Sai Pavan
Senior Undergraduate
Electrical Engineering
IIT Gandhinagar
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20181216/ff5473e8/attachment.html>