EPW Forum

Hi Samuel, thank you for your swift reply! I have converged the calculation in the "SCF" sense at a k-grid of ~12 and a PW cutoff of about 120 (the pseudos are of ONCV type with PZ functional, similar to the GaN example). The physical properties are then a diel. constant of ~3.0 (iirc the ...

Dear all, I am facing an "interesting" behavior for MgO. The self-energy (Im(sigma)) gets fairly high (~10^7 meV) and I cannot figure out if this is a convergence problem or a "result". - phonon interpolation works well when reading the force constants from q2r and imposing cryst...

Mille grazie Carla, that is exactly what I want!

Best,
Chris

Dear all, I was wondering if it was possible in epw to select a phonon mode (branch index) when calculating the electron-phonon self energy (last equation here: m) in order to distinguish the individual contributions? I looked through the docs but I am not sure if the "cumulative" method d...

Dear all! This is a very broad question and not directly related with EPW so I apologize for taking space (and possibly your time..) here! In the EPW paper (m) I read the following: In some cases it may be convenient to use electron-phonon matrix elements outside of EPW, for instance in the study of...

Dear all! Thanks to Carla's help I ran epw as delivered with the most recent qe6.0 running my toy model of CsPbBr3 following the GaAs example (since both are polar semiconductors...) My point of interest is the following (I am an experimentalist): from measurement I see a dominant phonon mode of 16\...

Dear Carla!

Thank you very much, I have misinterpreted a post on weights mentioning they are not being "used" as they would not be read... mea culpa!


Yours,
Chris

PS: I tried to make a signature but the function is not activated in my UCP!