Dear developers,
I ran the e-pl in the test suite for silicon. And I have several questions as following:
1). How do we set the 3 parameters?
nel = 0.01
epsiHEG = 12.0
meff = 0.25
2). the q point in the ph.in just contains only 1 1 1, and in epw.in, there are no fine grids. Is this just for testing? Do we still
need to set interpolated finegrids here?
Thanks!
Shudong
Test for electron-plasmon
Moderator: stiwari
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carla.verdi
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Re: Test for electron-plasmon
Dear Shudong,
nel is equivalent to tot_charge (in absolute value), that is, the added electrons in your unit cell. epsiHEG is the average \epsilon_\infty e.g. from your dfpt calculation. meff is the average band effective mass for your material.
The electron-plasmon coupling is implemented as in https://journals.aps.org/prb/abstract/1 ... .94.115208 and https://journals.aps.org/prb/abstract/1 ... .97.165113 using EPW to take advantage of the Wannier interpolation, but it doesn't need the interpolation of the e-ph matrix elements, hence why the ph.in only contains 1 q point.
Best
Carla
nel is equivalent to tot_charge (in absolute value), that is, the added electrons in your unit cell. epsiHEG is the average \epsilon_\infty e.g. from your dfpt calculation. meff is the average band effective mass for your material.
The electron-plasmon coupling is implemented as in https://journals.aps.org/prb/abstract/1 ... .94.115208 and https://journals.aps.org/prb/abstract/1 ... .97.165113 using EPW to take advantage of the Wannier interpolation, but it doesn't need the interpolation of the e-ph matrix elements, hence why the ph.in only contains 1 q point.
Best
Carla