Search found 51 matches
- Mon Feb 10, 2025 11:05 am
- Forum: Running the code
- Topic: memory error in EPW calculations
- Replies: 3
- Views: 13079
Re: memory error in EPW calculations
Hi Hari, Yes, the maximum memory available per core in my system is 18GB. I can't use more than that. I will check the calculations reducing the parameters you suggested. However, is there any other parameter which can reduce the memory usage, such as, `etf_mem`? Please let me know. Thank you ...
- Mon Jan 27, 2025 5:49 pm
- Forum: Running the code
- Topic: memory error in EPW calculations
- Replies: 3
- Views: 13079
memory error in EPW calculations
Dear Experts, I am getting this large memory issue, which I am unable to resolve. I tried looking for a solution into the forum but did not find a proper solution. Size of required memory per pool: ~= 171.5761 Gb %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in ...
- Mon Dec 16, 2024 2:07 pm
- Forum: Running the code
- Topic: Allen dynes formula for Tc is not giving correct lambda from epw calcs
- Replies: 5
- Views: 4757
Re: Allen dynes formula for Tc is not giving correct lambda from epw calcs
Thank you Shashi for the clarification.
- Sat Dec 14, 2024 6:08 pm
- Forum: Running the code
- Topic: Allen dynes formula for Tc is not giving correct lambda from epw calcs
- Replies: 5
- Views: 4757
Re: Allen dynes formula for Tc is not giving correct lambda from epw calcs
Dear Shashi, Thank you for your reply and the reference. But isn't lambda is very large? In this paper by Allen and Dynes: https://journals.aps.org/prb/pdf/10.1103/PhysRevB.12.905 , it has been explained whenever lambda > 1.5 there is correction factor used in Allen dynes Tc. Is that factor taken ...
- Wed Dec 11, 2024 11:18 am
- Forum: Running the code
- Topic: Allen dynes formula for Tc is not giving correct lambda from epw calcs
- Replies: 5
- Views: 4757
Re: Allen dynes formula for Tc is not giving correct lambda from epw calcs
I noticed that w_log is in meV while it should be in Kelvin. Could anyone tell what is the conversion formula for logarithmic average of omega? Is it E = kB.T? Also, I noticed that from QE calculations I am getting lambda close to 1 while EPW gives 1.65. Why there is a discrepancy? Additionally, a2F ...
- Wed Dec 11, 2024 8:08 am
- Forum: Running the code
- Topic: Allen dynes formula for Tc is not giving correct lambda from epw calcs
- Replies: 5
- Views: 4757
Allen dynes formula for Tc is not giving correct lambda from epw calcs
Dear EPW Experts, I am running one anisotropic superconducting calculation where the calculation gives the following output in epw.out file: ...... a2f file is found and will be used to estimate initial gap Finish reading a2f file Electron-phonon coupling strength = 1.6514433 Estimated Allen-Dynes ...
- Mon Apr 08, 2024 3:05 pm
- Forum: Electron-phonon
- Topic: Large smearing reducing CDW (phonon-softening)
- Replies: 5
- Views: 75112
Re: Large smearing reducing CDW (phonon-softening)
Dear Hitoshi,
Thank you for the response. This clears the confusion and answers my question.
Sincerely,
Shubham
Thank you for the response. This clears the confusion and answers my question.
Sincerely,
Shubham
- Sat Mar 30, 2024 6:44 pm
- Forum: Electron-phonon
- Topic: Large smearing reducing CDW (phonon-softening)
- Replies: 5
- Views: 75112
Re: Large smearing reducing CDW (phonon-softening)
Dear Hitoshi, Thank you so much for the detailed explanation. I would like to mention that my ultimate goal is to calculate Tc. And I checked with different smearing values (degauss) in QE calculations (phonon calculations) results into different Tc in NbSe2. I think this is because there is phonon ...
- Tue Mar 19, 2024 3:47 pm
- Forum: Electron-phonon
- Topic: Large smearing reducing CDW (phonon-softening)
- Replies: 5
- Views: 75112
Re: Large smearing reducing CDW (phonon-softening)
I would appreciate any response from developers/experts/users.
Thank you
Shubham
Thank you
Shubham
- Wed Mar 13, 2024 9:20 pm
- Forum: Electron-phonon
- Topic: Large smearing reducing CDW (phonon-softening)
- Replies: 5
- Views: 75112
Large smearing reducing CDW (phonon-softening)
Dear experts, It may be not new for the community so I believe I will get a quick response on my query. It is know that for some CDW systems, say some TMDs the phonon softening can be removed by using a large smearing value. I have seen many papers using degauss=0.02 and with that value, there is an ...