Hello everyone. I still have some confusion regarding the convergence of the
calculations of the electron phonon coupling, lambda.I have tested this for a
simple system such as bilayer graphene... I have chosen a cutoff energy of 60Ry
and a cutoff density ecutrho of 540 Ry ( 9 times the value of ecutoff because
my pseudo potential is ultrasoft C.pbe-rrkjus). Also the k grid was chosen to
be 36 x 36 x1. I have verified then convergence of the total energy with
respect to the cutoff energy and the number of k-grid points before starting
the calculations and everything seemed pretty fine. Calculations were done for
19 phonon points and extrapolation later followed (in matdyn I had a 120 x 120
x1 phonon grid). Finally , I got the following results: Broadening 0.0050
lambda 0.0163 Broadening 0.0100 lambda 0.0383 Broadening
0.0150 lambda 0.0328 Broadening 0.0200 lambda 0.0209 Broadening
0.0250 lambda 0.0147 Broadening 0.0300 lambda 0.0133
Broadening 0.0350 lambda 0.0149 Broadening 0.0400 lambda
0.0185 Broadening 0.0450 lambda 0.0234 Broadening 0.0500 lambda
0.0287 I cannot see any plateau here as I was told in an earlier e-mail.
Which one of these values is the convergent electron phonon coupling, if it is
convergent at all? Any help can be appreciated to clear this
misunderstanding.Thank you in advanceElioUniversity of RondoniaBrazil
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