prtgkk - format of output

[chrisewolf]

Dear all,

I greatly appreciate the direct output of the El-Ph matrix element, a very useful addition to the code!

I was wondering which exactly is the quantity printed with respect to the equations shown on http://epw.org.uk/Documentation/Electron-phononCoupling

(I only calculated it for Gamma point as suggested in the manual)

Code: Select all

 Electron-phonon vertex |g| (meV)

     iq =     271 coord.:    0.9730157   0.0812236   0.6623448
     ik =       1 coord.:    0.0000000   0.0000000   0.0000000
      ibnd     jbnd     imode   enk[eV]    enk+q[eV]  omega(q)[meV]   |g|[meV]
     ------------------------------------------------------------------------------
        6        6        1      8.3851      4.5292     29.0484    0.2154161723E+02
        6        6        2      8.3851      4.5292     31.0331    0.2251065014E+02
        6        6        3      8.3851      4.5292     43.8168    0.1909058629E+02
        6        6        4      8.3851      4.5292     47.1814    0.3526487604E+02
        6        6        5      8.3851      4.5292     52.3885    0.5268346719E+02
        6        6        6      8.3851      4.5292     75.2444    0.1250836345E+03
        6        7        1      8.3851      7.4607     29.0484    0.2106136981E+02

as far as I understand |g|[meV] is the absolute value of the third equation under above link. If I divide

(|g|[meV])*(2*m0*omega(q)[meV])^-0.5

and square it I would get the quantity shown in the second equation (superscript "SE").

Is that correct?

Thanks for your help in advance!

Best,
Chris

[carla.verdi]

Dear Chris,

The matrix elements printed are the modulus of the 'full' ones, that is, what is called with the somewhat deprecated name 'g^SE' in that link (second equation).

Best
Carla