Search found 22 matches

by sahildani
Thu Jan 19, 2023 10:54 am
Forum: Running the code
Topic: Error in Isotropic Eliashberg equation
Replies: 6
Views: 3275

Re: Error in Isotropic Eliashberg equation

Hello Hari Sir, I have changed npade to 20 and wscut to a little lower value. Now the code is running fine. Thank you for the help. But I wanted to clear one little thing with you. Is it okay to reduce the npade tag to a lower value say 20, 30, or even less than 10. How much reducing this value can ...
by sahildani
Thu Jan 19, 2023 10:42 am
Forum: Running the code
Topic: Error in routine readint3paw (99): error opening ../Phonon/save/W2F2.dvscf_paw_q1
Replies: 2
Views: 2038

Re: Error in routine readint3paw (99): error opening ../Phonon/save/W2F2.dvscf_paw_q1

Hi sahildani, Can you please make sure you have W2F2.dvscf_paw_qXX files in your save directory? If not, you should have W2F2.dvscf_qXX files there and try to rename them in the format (W2F2.dvscf_paw_qXX). Let me know if this helps. Just one thing, the EPW calculations with PAW potential are not w...
by sahildani
Wed Jan 18, 2023 4:14 pm
Forum: Running the code
Topic: Error in Isotropic Eliashberg equation
Replies: 6
Views: 3275

Re: Error in Isotropic Eliashberg equation

Hello Sir, Thank you for all the explanation and suggestions. I took npade = 40 and wscut ~ more than the 10 times of the maximum phonon frequency (which was 12.856799 THz) = 0.5317142056018 eV in the input that I have shared. I will try to change these parameters to achieve N~300 and get back to yo...
by sahildani
Wed Jan 18, 2023 4:44 am
Forum: Running the code
Topic: Error in Isotropic Eliashberg equation
Replies: 6
Views: 3275

Re: Error in Isotropic Eliashberg equation

Dear Sir,
Thank you for the reply.
Please find the attached prefix.a2f file
prefix.a2f.zip
(37.43 KiB) Downloaded 162 times
Regards
Sahil
by sahildani
Tue Jan 17, 2023 10:57 am
Forum: Running the code
Topic: Error in Isotropic Eliashberg equation
Replies: 6
Views: 3275

Error in Isotropic Eliashberg equation

Dear experts, I am trying to find superconducting critical temperature of a 2D material. When I try to do epw.x calculations, I met the following error: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine mix_broyden (1): factorization %%%%%%%%%%%%%%%%%%%%...
by sahildani
Thu Jan 05, 2023 12:07 pm
Forum: Running the code
Topic: Error in routine readint3paw (99): error opening ../Phonon/save/W2F2.dvscf_paw_q1
Replies: 2
Views: 2038

Error in routine readint3paw (99): error opening ../Phonon/save/W2F2.dvscf_paw_q1

Hello experts, I am trying to study the superconductivity in a 2D material using EPW v.5.4.1 I am facing an error when reading dvscf file: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine readint3paw (99): error opening ../Phonon/save/W2F2.dvscf_paw_q1 ...
by sahildani
Thu Sep 01, 2022 5:10 pm
Forum: General discussion
Topic: Regarding error: forrtl: severe (24): end-of-file during read, unit 5, file /proc/36988/fd/0
Replies: 2
Views: 2044

Re: Regarding error: forrtl: severe (24): end-of-file during read, unit 5, file /proc/36988/fd/0

Hi hlee Sir, We had already posted our query on Quantum Espresso User Forum, and I was under this impression that both EPW and QE deals with the electron phonon coupling, so it might help to post it here. I was in hopes that someone also faced this error in their superconductivity calculations and h...
by sahildani
Thu Sep 01, 2022 6:54 am
Forum: General discussion
Topic: Regarding error: forrtl: severe (24): end-of-file during read, unit 5, file /proc/36988/fd/0
Replies: 2
Views: 2044

Regarding error: forrtl: severe (24): end-of-file during read, unit 5, file /proc/36988/fd/0

I am facing an issue while doing EPC calculation (lambda.x) in Quantum Espresso (v6.4.1). The calculations were working fine in my PC, but on HPC I am getting this error while doing lambda.x and my lambda.out is completely empty. I am reproducing the electron-phonon coefficient of metallic fcc Pb (e...
by sahildani
Mon Aug 15, 2022 10:06 am
Forum: General discussion
Topic: How to plot Eliashberg function alpha2F(w) and EPC strength (lambda) together in one plot ?
Replies: 4
Views: 2981

Re: How to plot Eliashberg function alpha2F(w) and EPC strength (lambda) together in one plot ?

Dear all, Thank you for the suggestions. I had used Origin to plot lambda and alpha2F(w) together and getting results now. Please find the attachment. a2f1.jpg I wanted to ask few more things. The lambda must be the higher value (2.12) that I am getting from this plot? But this value is different fr...
by sahildani
Tue Aug 09, 2022 9:09 am
Forum: General discussion
Topic: How to plot Eliashberg function alpha2F(w) and EPC strength (lambda) together in one plot ?
Replies: 4
Views: 2981

How to plot Eliashberg function alpha2F(w) and EPC strength (lambda) together in one plot ?

Dear all, I am using Quantum Espresso version 6.4.1 and trying to find superconducting parameters of CoO2 by following Example of Pb (Tutorial Tue.5). I am able to generate all the files but I am not getting how to plot Eliashberg function alpha2F(w) and EPC strength (lambda) together in one single ...