prtgkk - format of output
Posted: Fri Mar 09, 2018 1:34 am
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)
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
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+02as 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