Search found 5 matches

by leeru
Sun Jul 16, 2023 1:23 pm
Forum: Running the code
Topic: polt the Ank.band.plrn
Replies: 1
Views: 11132

polt the Ank.band.plrn

Dear all,
I have used the EPW 5.7 to calculate the polaron, and the Ank.band.plrn file has been generated, there is a Python code plot_Ank.py to visualize the results, is there anyway to plot the results by other software, such as the orginlab? I have paste the data as screening shot in the following.
by leeru
Thu Jul 06, 2023 1:39 pm
Forum: Running the code
Topic: wannier segmentation fault
Replies: 2
Views: 1467

Re: wannier segmentation fault

I have recompiled the epw code by intel oneapi 2021.4, and now the error has gone, but it may also due to the dis_froz_min= 6
dis_froz_max= 0.5 error, anyway, thank you.
by leeru
Sun Jun 11, 2023 3:24 pm
Forum: Running the code
Topic: wannier segmentation fault
Replies: 2
Views: 1467

wannier segmentation fault

Dear all: When I run the epw.x, when it comes to the wannier step, it crashes and print out the "segmentation fault", however, when I use wannier90.x separately, nothing wrong happends, please give me some advices on that. My input file -- &inputepw prefix = 'Cs2SnBr6', outdir = './' dvscf_dir = '.....
by leeru
Tue May 09, 2023 1:44 am
Forum: Running the code
Topic: filqf and filkf generation
Replies: 1
Views: 2991

filqf and filkf generation

Dear all
I have generated the filqf and filkf by way of :1) set the vebosity of pwscf high, and 2) copy the kpoints and use it as the filqf and filkf, but epw alway report a read error, any help please
Regards
Ru
by leeru
Sat Apr 01, 2023 2:40 pm
Forum: Running the code
Topic: EPW code v5.7 polaron calculation
Replies: 1
Views: 2904

EPW code v5.7 polaron calculation

Dear all

I have noticed that epw 5.7 has included a new feature to calculate the polaron, however, I couldn't find any tutorial for that, it is highly appreciated that if anyone could provide template input file for the polaron calculation.

regards
ru