scattering rates in structure containing carbon and hydrogen atoms
Posted: Mon Nov 01, 2021 9:24 am
Dear all,
I am trying to simulate a structure containing carbon and hydrogen atoms using the programs EPW 5.4 and QE-6.8. The program description says that the EPW 5.4 program includes the possibility of mode-resolved, i.e. phonon modes, scattering rates. In the scattering_rate_300 file I received, I see scattering_rates depending on point number (ik), number of the band (iband) and energy E. Could you please advise me how to obtain with EPW 5.4, the scattering rates for particular phonon modes, i.e. LO, LA, TO, TA and so on. Please find enclosed the text of compressed files C2H1.epw.in, scattering_rate_300-short (only the beginning part is given due to the big size of this file) that I received.
Thanks for the answer!
Best regards,
Mishchenka Valery
I am trying to simulate a structure containing carbon and hydrogen atoms using the programs EPW 5.4 and QE-6.8. The program description says that the EPW 5.4 program includes the possibility of mode-resolved, i.e. phonon modes, scattering rates. In the scattering_rate_300 file I received, I see scattering_rates depending on point number (ik), number of the band (iband) and energy E. Could you please advise me how to obtain with EPW 5.4, the scattering rates for particular phonon modes, i.e. LO, LA, TO, TA and so on. Please find enclosed the text of compressed files C2H1.epw.in, scattering_rate_300-short (only the beginning part is given due to the big size of this file) that I received.
Thanks for the answer!
Best regards,
Mishchenka Valery