Search found 45 matches

by simba2828
Sun Mar 26, 2023 5:04 am
Forum: Running the code
Topic: Negative value of superconducting gap
Replies: 13
Views: 35039

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...
by simba2828
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
by simba2828
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...
by simba2828
Fri Mar 10, 2023 9:56 am
Forum: Running the code
Topic: Negative value of superconducting gap
Replies: 13
Views: 35039

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...
by simba2828
Tue Mar 07, 2023 4:42 pm
Forum: Running the code
Topic: system_2d flag in EPW is not working
Replies: 2
Views: 11215

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...