Search found 5 matches

by fgoudreault
Wed Jan 17, 2024 8:56 pm
Forum: Running the code
Topic: crystal_patch.py nowhere to be found
Replies: 1
Views: 4943

crystal_patch.py nowhere to be found

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 ...
by fgoudreault
Thu Jun 29, 2023 12:50 pm
Forum: Theory
Topic: Difference between vme = dipole and vme = wannier
Replies: 1
Views: 20354

Difference between vme = dipole and vme = wannier

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. H...
by fgoudreault
Thu Jul 29, 2021 8:50 pm
Forum: Running the code
Topic: kmaps is gone
Replies: 2
Views: 1726

kmaps is gone

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
by fgoudreault
Wed Mar 10, 2021 11:29 pm
Forum: General discussion
Topic: munmap_chunk(): invalid pointer error
Replies: 2
Views: 3372

Re: munmap_chunk(): invalid pointer error

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!
by fgoudreault
Wed Mar 10, 2021 7:08 pm
Forum: General discussion
Topic: munmap_chunk(): invalid pointer error
Replies: 2
Views: 3372

munmap_chunk(): invalid pointer error

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 0x7fc497a6...