You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Flagged by discussions with @kantaimperial; the logic behind the choice of Q₀ in the examples is not really clear.
From our discussions before @xw-w, this should correspond to the central datapoint used for e-ph coupling right? Can we make this clear with a comment/note in the example tutorial?
Also, in the example case given in the notebook, disp_004 is used in both cases for hole and electron capture e-ph coupling (as we usually do the two together), but then different Q₀ values (0.4*delQ and 1.4*delQ) are used? Is this correct or a typo?
The text was updated successfully, but these errors were encountered:
Thanks for pointing it out and I've corrected the typo. The choice of Q₀ is not unique as long as it meets the criterion I noted in the tutorial (i.e. a single-particle defect level should be well defined and be in the bulk band gap) and you may want to do your own tests for your system
Yes but in the notebook it's not obvious to most people that the configuration chosen for e-ph coupling (disp_004 in this case) is the same as Q₀, so I think this should be clearly stated
Sorry but I thought I wrote in the notebook that "The reference WAVECAR used for WSWQ calculations corresponds to {Q_0}. "? Please feel free to edit the example if you think anywhere is not clear! :)
Flagged by discussions with @kantaimperial; the logic behind the choice of Q₀ in the examples is not really clear.
From our discussions before @xw-w, this should correspond to the central datapoint used for e-ph coupling right? Can we make this clear with a comment/note in the example tutorial?
Also, in the example case given in the notebook,
disp_004
is used in both cases for hole and electron capture e-ph coupling (as we usually do the two together), but then different Q₀ values (0.4*delQ
and1.4*delQ
) are used? Is this correct or a typo?The text was updated successfully, but these errors were encountered: