EPW Forum

Hi, did you find an answer?
Has the definition of the "linewidth" changed between the versions?
I seem to have a similar/identical problem: viewtopic.php?f=6&t=1875&p=5130#p5130

cheers,
Nicki

Dear all, we're currently dealing with the physics of phonon instabilities in doped semiconductors and a student of mine calculated the phonon linewidths for these systems. Even carefully converged with respect to k/q-meshes and smearing the line widths appeared too large for me (up to 50-100meV for ...

Dear all, I want to vary the smearing \eta for different interpolated k-meshes in the phonon self energy (Eq1 in https://docs.epw-code.org/doc/Electron-phononCoupling.html) to check for convergence. I guess nsmear, delta_smear are the correct flags to use. If I do so, say nsmear=5 ; I'll get values ...

Dear Hari,

thanks a lot for the reply. Reading in the force constants directly and bypassing set_asr2 was something I had in mind, but wasn't to sure if I neglect something important by skipping set_asr2. It worked for me flawlessly.

thanks again,
Nicki
MLU/MPI Halle, Germany

Dear all, I'm doing reference calculation on the phonon self energy of a material with (physical meaningful) imaginary phonon modes. From the documentation of EPW it says that the acoustic sum rule can be either: ‘simple’, ‘crystal’, ‘one-dim’ or ‘zero-dim’ However an asr_typ = "simple" wouldn't be m ...

Dear all, I am using the latest EPW5.1.0 embedded within QE6.4.1 release. After successful self-consistent/non-self-consistent and phonon runs I get constantly the following "infamous" read-in error while running EPW ...

Thanks a lot Samuel, keeping the ph-mode-resolved SE in memory is of course stupid; I should have seen this in the output. I had in mind when using less frequency bins the spectral function always looked shabby, but I'll try this out. On another note; how far have you proceeded with the iterative ...

Dear all, I am currently calculating the electronic spectral function for (a) 2D system(s). I define ~300kp along a high-symmetry line and want at least 800k-1200k random q-points. I know from single k-point calculations the self-energies are converged then. Unfortunately these calculations take ...

Hi Luca, thinking in terms of self-energies and Dyson equations: the effect should be one both sides. Unfortunately I can't find a paper dealing exactly with this questions (maybe Schnhoff et al. Phys. Rev. B 94, 134504 (2016).) However the question of phonons mediating/affecting an electron ...

Dear all, I want to calculate temperature dependent el. linewidths at certain k-points. To efficiently do so, it would be useful to just vary the "Fermi-temperature" and keep the matrix-elements in the memory. It seemed to be possible with eptemp(:) being an array of temperatures to be looped over ...