[Pw_forum] about elphon.f90
Antonio Sanna
asanna at did.dsf.unica.it
Wed Mar 16 10:08:07 CET 2005
Dear Developers,
I'm tryng to obtain the electron-phonon coupling constants g_kq from
the subroutine "elphel" in "elphon.f90",
I'm keeping:
elphmat (jbnd, ibnd, ipert) "
elphmat(j,i)=<psi_{k+q,j}|dvscf_q*psi_{k,i}> "
this, I think, is the coupling with respect to the phonon mode q (not to
cartesian displacement of the atoms ) Is it right?
And also, in the subroutine that calculates the linewidths gamma:
after a summation over the fermi surface and a symmetrization, gammas
are generate as
gamma = gamma + real (conjg (dyn (mu, nu) ) * el_ph_sum (mu, vu) &
* dyn (vu, nu) )
what this transformation (dyn* elphsum dyn) means?
Thank you in advance
Antonio Sanna
More information about the users
mailing list