Printing/plotting g coefficients (and: restarting a calc)

[jiachen]

Dear All,

I have follow up questions about g coefficients. I am new to el-ph interaction in general, sorry if questions are naive.

Regarding "abs(epmatf (jbnd, ibnd, imode))**two / (two * wq)", I think 'wq' variable here is frequency of imode, but I failed to locate the actual 'wq' in ephwann_shuffle.f90. Can you help me by pointing out the actual variable name?

One more related question, I am trying to get g coefficient that can be used in model Hamiltonian studies, so I need absolute value with correct unit. Square root of [abs(epmatf (jbnd, ibnd, imode))**two / (two * wq)] should have physical dimensionality of energy. So, I guess the printed number should have unit of Ryderg^2, is that correct?

Apprecite your help!

[carla.verdi]

Dear jiachen,

Yes everything is calculated internally using Rydberg atomic units.
You can find the phonon energies are stored in wf(mode,q).

Best,
Carla