EPW Forum

Dear developer, I am writing to seek your advice regarding the methodology for obtaining k point-dependent scattering rates, similar to the data presented in the attached figure. I have seen plots that display the scattering rate as a function of kx and ky, including data points at negative k ...

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Hi Shashi

The attachment contains scf.in, ph.in, q2r.in, matdyn.in, epw.in, and the phonon dispersion. Based on the HSE calculation, only the scf.in file is included, and the nscf.in file is not provided.

Regards,
Donglin

asr-type=no

Hi Shashi I am certain that the phonon dispersion exhibits no imaginary frequencies when using Quantum ESPRESSO (QE) to read the IFC file. However, when I set asr_type to "no", "crystal", or "simple" in EPW, the phonon dispersion shows imaginary frequencies. Could it be that QE and EPW read the ...

I referred to the webpage viewtopic.php?p=5064&hilit=imaginary#p5064, modified the EPW code, and set asr_typ = 'no', but the phonon spectrum output by EPW still has imaginary frequencies.

Dear When I use EPW to read force constants, the generated phonon spectrum consistently exhibits imaginary frequencies, regardless of whether I set asr_typ to "simple" or "crystal." However, when EPW directly reads the dynamical matrix file (dyn file), the phonon spectrum does not show any imaginary ...

In the output file mobility_nk.fmt, the K-point coordinates are provided in Cartesian coordinates， how to output the Crystal Coordinates in mobility_nk.fmt by revising the printing.f90. thanks.

Dear EPW developers, I am unsure if this is a bug. With a 4x4x4 q-point grid: In the epw.in input file, if the settings are: etf_mem = 0, mp_mesh_k = .false., epw_memdist = .true., the EPW run terminates. If the settings are: etf_mem = 1, mp_mesh_k = .false., the EPW run completes successfully, but ...

yes, i need it. could you give me ,thanks.