EPW Forum

Dear Dr. Ponce and Dr. Tiwari, Thank you so much for you insights. I was worried whether the code will break or produce anything wild if 'effective mass' was calculated explicitly. The limitations of BTE itself have to be taken into consideration of course, as you mentioned. Regards, Muhammad Aminul ...

Dear all, I'd really appreciate it if someone could share your thoughts on it. Mainly, I am concerned about the effective mass if a valence or conduction band becomes almost flat in specific directions. I have not been able to reach any conclusion going through the paper ( https://doi.org/10.1103 ...

Dear experts,

If the valence/conduction band edges of a material are flat in certain directions, will methods implemented in EPW, particularly for mobility calculation, still be applicable?

Thanks,
Muhammad Aminul Haque

Dear experts, We know that It is possible to calculate energy dependent electron and hole relaxation time using the EPW code. Now, I was wondering how we can approximate the constant relaxation time from this data, that can be used in other calculations (for example, electronic contribution to ...

Dear Prof. Poncé,

Thanks for the recommendation regarding the k and q point grid.

And using 'bands' in the calculation mode of pw.x has solved the issues with the k-points.

Thank you so much.

Regards,
Muhammad Aminul Haque

Dear experts, I am trying to perform EPW calculations on a system that has the following unit cell parameters: ibrav = 4 !trigonal symmetry celldm(1) = 8.02577068 celldm(3) = 2.43976291 First, I have performed the phonon calculation with 4x4x2 q-point grid using 'ph.x'. Then, I have generated 576 ...