Hi Animesh,
The unit of phonon frequency used in the freq file in Ry. But while reading_ephmat we convert freq to eV unit.
regards,
Shashi
Search found 5 matches
- Fri Sep 13, 2024 8:58 pm
- Forum: General discussion
- Topic: Electron-Phonon Matrix Elements EPW
- Replies: 7
- Views: 23476
- Tue Aug 20, 2024 11:59 pm
- Forum: Running the code
- Topic: Error in `/lustre/home/rencong/qe-7.3.1/EPW/bin/epw.x': corrupted size vs. prev_size: 0x0000000005f42a00
- Replies: 2
- Views: 581
Re: Error in `/lustre/home/rencong/qe-7.3.1/EPW/bin/epw.x': corrupted size vs. prev_size: 0x0000000005f42a00
Hi Zhao, It looks like the error message indicates a memory issue. I have a few suggestions that might help. First, the Wannierization seems problematic. As shown in your output file, the spread of some Wannier centers is unusually large, around 17-20 Ang, which is quite unexpected. I suggest adjust...
- Sat Jul 20, 2024 3:15 am
- Forum: Running the code
- Topic: Error in routine read_control_ph (1): wrong elph
- Replies: 4
- Views: 2097
Re: Error in routine read_control_ph (1): wrong elph
Hi Bhawna,
When you specify ldisp = .true., you need to specify k-grid not a k-path.
If you want to read the "L" point coordinates, you can set ldisp = .false. and trans = .false.
regards,
Shashi
When you specify ldisp = .true., you need to specify k-grid not a k-path.
If you want to read the "L" point coordinates, you can set ldisp = .false. and trans = .false.
regards,
Shashi
- Thu Jun 27, 2024 3:42 pm
- Forum: General discussion
- Topic: About how to draw two dashed lines over an anisotropic superconducting gap
- Replies: 1
- Views: 1562
Re: About how to draw two dashed lines over an anisotropic superconducting gap
Dear Fumihiro, To draw "guided lines to the eyes" over an anisotropic superconducting gap as shown in Figure 4, we take an average over the minimum and maximum gap distributions in the lower and upper gap regions at each temperature. Then join the points. There is also another way to fit the anisotr...
- Tue Jun 25, 2024 6:59 am
- Forum: General discussion
- Topic: Questions about using pw2wannier90.x to generate initial projections for Wannier calculation
- Replies: 1
- Views: 1131
Re: Questions about using pw2wannier90.x to generate initial projections for Wannier calculation
Hi Elijah, The PDWF works only for entangled bands, while MRWF is only used for isolated bands. The error message while running “wannier90.x -pp graphene” is because the PDWF technique is not implemented in the release W90 version. That's why you get unrecognized keywords. However, the "atom_proj" i...