Search found 45 matches
- Sun Mar 26, 2023 5:04 am
- Forum: Running the code
- Topic: Negative value of superconducting gap
- Replies: 13
- Views: 35042
Re: Negative value of superconducting gap
Thank You Hari, Could you please tell me which quantities I check for the convergence for (1) fsthick (2) k/q point and (3) wscut? Say, in scf calculation we can check the ground state energy but what should I check for the above flags? Though I checked several tests with respect to fstick/k/q/wscut...
- Sun Mar 26, 2023 4:52 am
- Forum: General discussion
- Topic: How many Wannier bands (nbndsub) we should consider for Eliasberg Formalism?
- Replies: 3
- Views: 12935
Re: How many Wannier bands (nbndsub) we should consider for Eliasberg Formalism?
Thank you Hari for your kind suggestion.
Here I am attaching the Hamiltonian and el-ph decay. Could you please tell me is it fine? This looks noisy to me.
Shubham
Here I am attaching the Hamiltonian and el-ph decay. Could you please tell me is it fine? This looks noisy to me.
Shubham
- Wed Mar 15, 2023 9:10 am
- Forum: General discussion
- Topic: How many Wannier bands (nbndsub) we should consider for Eliasberg Formalism?
- Replies: 3
- Views: 12935
How many Wannier bands (nbndsub) we should consider for Eliasberg Formalism?
Dear EPW experts, I am very new to the EPW and Migdal-Eliasberg formalism. About the EPW calculation, I want to know that for how many bands we should do the Wannier interpolation to get the good estimate of Tc and Superconducting (SC) gap. Does it matter if I fit all the DFT bands in one case and f...
- Fri Mar 10, 2023 9:56 am
- Forum: Running the code
- Topic: Negative value of superconducting gap
- Replies: 13
- Views: 35042
Negative value of superconducting gap
Dear EPW developers and Users, After successfully finishing the phonon, scf and nscf calculations I am trying to calculate superconducting properties for my 2D system. I notice that the Min. value of superconducting Gap is negative after all the cycles with different temperatures (8K, 12K, 17K and 2...
- Tue Mar 07, 2023 4:42 pm
- Forum: Running the code
- Topic: system_2d flag in EPW is not working
- Replies: 2
- Views: 11218
system_2d flag in EPW is not working
Dear EPW developers and users, I am trying to calculate the superconducting properties of 2D system. I am using EPWv5.6 and QEv7.1 for my work. While running the epw calculations after successfully completing phonon, scf and nscf calculations I am getting the following error: Reading input from stan...