el-ph matrix elements in complex form

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simba2828
Posts: 65
Joined: Tue Mar 07, 2023 4:19 pm
Affiliation: IIT Kharagpur

el-ph matrix elements in complex form

Post by simba2828 »

Dear Experts,

I want to use el-ph matrix elements generated from EPW, which are stored in absolute numbers (|g|) and not in general complex form. Is there any way I can find the actual complex numbers for g^ij_v? The data I get currently from EPW is the following. (The last column is a modulus of g.)

Code: Select all

   Electron-phonon vertex |g| (meV)

     iq =       1 coord.:    0.0000000   0.0000000   0.0000000
     ik =       1 coord.:   -0.5000000  -0.5000000   0.0000000
      ibnd     jbnd     imode   enk[eV]    enk+q[eV]  omega(q)[meV]   |g|[meV]
     ------------------------------------------------------------------------------
        1        1        1     -6.7177     -6.7177       -0.0135798814    0.0000000000E+00
        1        1        2     -6.7177     -6.7177       -0.0000003057    0.0000000000E+00
        1        1        3     -6.7177     -6.7177       -0.0000001709    0.0000000000E+00
        1        1        4     -6.7177     -6.7177        4.8302532755    0.3419921953E+02
        1        1        5     -6.7177     -6.7177        5.9640573067    0.8581666964E-04
        1        1        6     -6.7177     -6.7177        6.7766710405    0.1672039579E+02
        1        1        7     -6.7177     -6.7177        7.9060891508    0.4369970344E+02
        1        1        8     -6.7177     -6.7177       10.3896425340    0.3489151032E+02

Any suggestion or help will be really helpful.
Thank you very much.

Sincerely,
Shubham
simba2828
Posts: 65
Joined: Tue Mar 07, 2023 4:19 pm
Affiliation: IIT Kharagpur

Re: el-ph matrix elements in complex form

Post by simba2828 »

Dear all,

I just found out that this routine printing.f90 has been updated in the latest version. And I can get the complex number from there.

Thank you very much.

Sincerely,
Shubham
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