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.
Search found 5 matches
- Sun Jul 16, 2023 1:23 pm
- Forum: Running the code
- Topic: polt the Ank.band.plrn
- Replies: 1
- Views: 12440
- Thu Jul 06, 2023 1:39 pm
- Forum: Running the code
- Topic: wannier segmentation fault
- Replies: 2
- Views: 3006
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.
dis_froz_max= 0.5 error, anyway, thank you.
- Sun Jun 11, 2023 3:24 pm
- Forum: Running the code
- Topic: wannier segmentation fault
- Replies: 2
- Views: 3006
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 ...
- Tue May 09, 2023 1:44 am
- Forum: Running the code
- Topic: filqf and filkf generation
- Replies: 1
- Views: 5204
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
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
- Sat Apr 01, 2023 2:40 pm
- Forum: Running the code
- Topic: EPW code v5.7 polaron calculation
- Replies: 1
- Views: 4435
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
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