Search found 191 matches
- Wed May 17, 2023 5:28 pm
- Forum: Running the code
- Topic: type of phonon mode
- Replies: 2
- Views: 11985
Re: type of phonon mode
Hi Prof. Valery, To determine the type of mode, we need to examine the phonon vibration properties (patterns) with respect to q near the Γ point. EPW does not sort these modes with respect to the mu index. You can visualize the vibration patters (you can see the displacements given in your .dyn1 fil...
- Mon May 15, 2023 1:32 pm
- Forum: Running the code
- Topic: filqf and filkf generation
- Replies: 1
- Views: 3049
Re: filqf and filkf generation
Hi Ru,
The key flags for band_plot are the following;
where 'path.dat' contains generated k/q points along the path.
For more detail you can see: qe-7.1/test-suite/epw_base/epw4.in
Happy EPWing,
Hari
The key flags for band_plot are the following;
Code: Select all
band_plot = .true.
filkf = 'path.dat'
filqf = 'path.dat'
For more detail you can see: qe-7.1/test-suite/epw_base/epw4.in
Happy EPWing,
Hari
- Sat May 06, 2023 1:42 pm
- Forum: General discussion
- Topic: Lambda does not converge
- Replies: 1
- Views: 14328
Re: Lambda does not converge
Hi Adam,
Can you say what is the value of fsthick in your calculation? A recommended value of degaussw is fsthick/4.
Happy EPWing,
Hari
Can you say what is the value of fsthick in your calculation? A recommended value of degaussw is fsthick/4.
Happy EPWing,
Hari
- Sat May 06, 2023 1:39 pm
- Forum: Running the code
- Topic: Superconducting gap using isotropic Eliashberg equation.
- Replies: 1
- Views: 1962
Re: Superconducting gap using isotropic Eliashberg equation.
Hi Bikash, This is possible. The BCS gaps is only an initial guess while solving Eliashberg equations. There are other parameters, such as lambda, to calculate gap. You need to provide us further information (for eg. k/q mesh) including the plots (eg. gap vs tc) to understand if the calculation is c...
- Tue Apr 25, 2023 2:10 pm
- Forum: Running the code
- Topic: phDOS and a2F not matching
- Replies: 17
- Views: 26461
Re: phDOS and a2F not matching
Hi Shubham, The code did not crash because of the 'kpath.dat' but it crashed reading your epw input file. I have cleaned up your epw input file, which should work fine for band_plot = .true. -- &inputepw prefix = 'nsms', outdir = './out/' ep_coupling = .true. elph = .true. epbwrite = .true. epbread ...
- Mon Apr 24, 2023 1:44 pm
- Forum: Running the code
- Topic: phDOS and a2F not matching
- Replies: 17
- Views: 26461
Re: phDOS and a2F not matching
Hi Shubham,
The weight of the k-points should be 1/(total number of k-points). For the ref. you can see 1/100 in the viewtopic.php?t=1226.
Happy EPWing,
Hari
The weight of the k-points should be 1/(total number of k-points). For the ref. you can see 1/100 in the viewtopic.php?t=1226.
Happy EPWing,
Hari
- Thu Apr 20, 2023 9:58 pm
- Forum: Running the code
- Topic: phDOS and a2F not matching
- Replies: 17
- Views: 26461
Re: phDOS and a2F not matching
Yes, I think. You need to make sure that the format of you file should be same as the one shown in the post.
Happy EPWing,
Hari
Happy EPWing,
Hari
- Thu Apr 20, 2023 9:53 pm
- Forum: Running the code
- Topic: Tc v/s Delta plot
- Replies: 3
- Views: 2821
Re: Tc v/s Delta plot
Hi Prerna,
I tested your data quickly and got the following plot by varying dbin. If you properly run the script I shared, it should work. Happy EPWing,
Hari
I tested your data quickly and got the following plot by varying dbin. If you properly run the script I shared, it should work. Happy EPWing,
Hari
- Tue Apr 18, 2023 11:09 pm
- Forum: Running the code
- Topic: phDOS and a2F not matching
- Replies: 17
- Views: 26461
- Tue Apr 18, 2023 11:01 pm
- Forum: Running the code
- Topic: Tc v/s Delta plot
- Replies: 3
- Views: 2821
Re: Tc v/s Delta plot
Hi Prerna,
Could you send me your "egnv" and "prefix.imag_aniso_002.00" files for further investigation. You can send me an email, please check your private message.
Happy EPWing,
Hari
Could you send me your "egnv" and "prefix.imag_aniso_002.00" files for further investigation. You can send me an email, please check your private message.
Happy EPWing,
Hari