imode in linedwith.elself

[JuniorKanga]

Dear all,

I would like to use the file linedwith.elself to plot the matrix element, in the file linedwith.elself i can see all the phonon mode for each energy level. In my case there are 6 mode for each energy level. I would like to know (in the 6 modes) which one is acoustic and which one is optical.

Code: Select all

# Electron lifetime (meV)
#      ik       ibnd                 E(ibnd)               imode          Im(Sgima)(meV)
        1          1   -0.14153917447836E+02          1    0.12809635307531E+01
        1          1   -0.14153917447836E+02          2    0.12739436181265E+00
        1          1   -0.14153917447836E+02          3    0.68381045718860E+01
        1          1   -0.14153917447836E+02          4    0.24201465748054E-02
        1          1   -0.14153917447836E+02          5    0.77144472145275E+00
        1          1   -0.14153917447836E+02          6    0.13818430380651E+02
        1          2   -0.38108131102902E+01          1    0.10688091102152E+02
        1          2   -0.38108131102902E+01          2    0.67489798386217E-01
        1          2   -0.38108131102902E+01          3    0.57453383877954E+01
        1          2   -0.38108131102902E+01          4    0.74900944357476E+01
        1          2   -0.38108131102902E+01          5    0.78699018092727E+00
        1          2   -0.38108131102902E+01          6    0.12167431379170E+02

Thanks in advance

[sponce]

Dear JuniorKanga,

The linewidth file does not contain the matrix elements but the imaginary part of the electron-phonon self-energy.

There is no symmetry analysis made so you cannot be 100% sure of which mode is optical or acoustic. Usually the lowest 3 lowest phonon frequency one are the acoustic one.

However you need to check with the phonon bandstructure and the symmetry analysis made by the ph.x code.

Best,

Samuel

[JuniorKanga]

Dear Samuel

Thank you very much for your reply.
Is it possible to get matrix element with EPW ? because I had read in this forum that we can get matrix element from linewidth.elself and linewidth.phself. If it is not possible, would you please suggest me an other way to get these matrix element?

Best

Junior Kanga

[sponce]

Hello,

Please see the recent question:

viewtopic.php?f=6&t=284

[JuniorKanga]

Dear Samuel,

Thank you very much for your reply

Best