EPW Forum

Dear All, We are happy to announce that on June 14-18, 2021 we will hold the 2021 Virtual School on Electron-Phonon Physics and the EPW code . This is the second event of a series that started in 2018 with the International School on Electron-Phonon Physics from First Principles, which was held at ...

Dear Chris, The key reference for calculating phonon-assisted Auger from first principles is the following paper by Kioupakis et al: First-principles calculations of indirect Auger recombination in nitride semiconductors m Pls take a look at Eqs. (9)-(18) of this paper. This calculation is doable in ...

Hi Seungjun, The variable eps_acustic is only meant to discard the 3 translational modes at Gamma, and it is set by default to 5 cm^-1. This variable is not meant in any way to test the contribution of acoustic phonons to self-energies and other physical properties, its only purpose is to avoid ...

Hi Luca, Generally speaking and very (very) roughly the correction to the band gap scales with the square modulus of the electron-phonon matrix element, the matrix element scales with the inverse of the dielectric function, and the dielectric function scales with the inverse of the square of the ...

Hi there,

In order to pass additional runtime options to Wannier90 from within EPW you can specify the
array , please take a look at the example in the page describing the
input variables:

http://epw.org.uk/Documentation/Inputs#wdata

FG

Hi Vahid, At this time the code does not support such an option. The reason is that a straightforward decomposition using the mode number at each q-point is not very meanigful. For example the acoustic modes near the zone center become optical modes at the zone boundaries. We will see if we can come ...

Hi Vahid, fsthick is not a convergence parameter. It can be used to speed up calculations of the electron-phonon coupling strength lambda, the phonon self-energy/linewidths, and the Eliashberg gap. The rationale for using it is that these quantities involve Dirac deltas centered at the Fermi energy ...

Dear Yao-Hong,

EPW v4 (to be released 29 Apr) supports norm-conserving pseudos.
The infrastructure for US pseudos is in place but is not tested yet.
PAW potentials are not supported.

FG

Hi Artur,

Can you please post your input file and config parameters so we can take a look?

FG

Hi Jiayue, We have been making a transition from EPW3 to EPW4. If you are using EPW3 I would suggest that you download EPW4 and try this again. The new tests are checked regularly on a test farm m and should work. EPW4 will be officially released in the coming weeks, if you want to get the latest ...