EPW Forum

Dear all,

Hello!

I try to calculate spin-polarized calculations, not non-collinear calculations, with EPW.

Can EPW be compatible with spin-polarized calculations?

and If it can do, which tags do I have to use??

Thanks.

Best regards,

Dear all, I want to calculate electron self-energy for scattering rates by electron-phonon interactions for 2D semiconductors having finite gap. In the paper (S. Ponc et al. / Computer Physics Communications 209 (2016) 116133), since electron scattering rates for undoped silicon were shown, I believ...

Dear Samuel,

Thank you for your advice.

I'll keep in my mind your advice when I do run wannier90.

Thank you again.

Best regards,

Dear Samuel, Thank you for nice reply and the problem is solved when the tag is removed. However, I have another question about exclude_band tag used in wannier90. If I want to exclude specific bands such as 1-12, 29-30, 50-69, how can I set tag in epw? (In wannier90, I can just use exclude_band tag...

Dear all, I am trying to calculate electron-phonon coupling constants of 2D systems with spin-orbit coupling, so I prepared input files as below and ran epw v4.1 implemented in QE 6.0. -- &inputepw prefix = 'B' amass(1) = 10.81 outdir = './' system_2d = .true. elph = .true. kmaps = .false. epbwr...

Dear all, Hello! I tried to get electron-phonon coupling constant for metallic systems with inversion symmetry. Before doing epw calculations, I checked that all MLWFs have small spreads within 3 A. Although I obtained well localized hamiltonian and dipole in Wannier basis, dynamical matrix in Wanni...

Dear eliephys78, I think your weights of q-points are strange. Do all q-points have the same weight of 1? According to my previous experience which is related with mpirun errors, you should input q-points with their appropriate weights. Please refer to the my question.[http://epwforum.uk/viewtopic.p...

Dear Carla, Thank you for your critical advise. As you said, I had mistakes when I added q-point lists without their weights. When I fixed this q-point weights and changed nk and nq values for commensuration, epw program runs well without any errors. Thank you for helping me, again. Best regards, Wo...

Dear Carla, Thank you for reply. I will share my epw.in input file here and send more detail input files (scf.in, ph.in ..) to you via a message. -- &inputepw iverbosity = 0 elph = .true. epbwrite = .true. epbread = .false. epwwrite = .true. epwread = .false. nbndsub = 7 nbndskip = 0 wannierize ...

Dear Samuel, Thank you for reply. I changed projection tags, so that I got decreased spread of Wannier functions. My final spread of Wannier functions and comparison between KS bandstucture and band obtained from WF are described below. Wannier Function centers (cartesian, alat) and spreads (ang): (...