EPW Forum

Hi, I'd like to know what are the units of the velocities matrix elements printed out in the IBTEvel_sum.fmt file. Atomic units usually are Hartree x bohr (hbar = 1) however since energies in quantum espresso are typically expressed in Rydbergs, does that mean the velocities are printed out in ...

Hi, just upgraded to latest version of EPW. However, since crystal.fmt is changed, I cannot restart calculations using previous versions of crystal.fmt. It is stated in the release note that we can upgrade our crystal.fmt files using a script named "crystal_patch.py". However the download link does ...

Dear EPW community, I am having trouble understanding the difference between the vme = dipole and vme = wannier options. According to the docs, vme = dipole includes the commutator with the non-local part of the potential while it is another formula dH_nmk/dk - i(e_nk-e_mk)A_nmk for vme = wannier ...

Hi, I noticed (following recent developments of EPW), that the input variable kmaps is not recognized anymore. Was it replaced by a different variable or it is gone for good?

Thanks,

Felix Goudreault

Dear H. Lee,

thank you very much for your quick reply! I tried nbndsub = 8 and it works now! I also had to modify the window parameters as well. You made me realize I forgot to change these parameters after copying an example...

Cheers to you!

Dear EPW users and developers. I am running epw on the simple hexagonal bulk Mg with the latest development version of Q-E/EPW. I am running into the following error though: munmap_chunk(): invalid pointer Program received signal SIGABRT: Process abort signal. Backtrace for this error: #0 ...