Search found 54 matches

by simba2828
Tue Mar 04, 2025 11:41 am
Forum: Running the code
Topic: Allen dynes formula for Tc is not giving correct lambda from epw calcs
Replies: 8
Views: 31157

Re: Allen dynes formula for Tc is not giving correct lambda from epw calcs

Hi Shashi,
Could you please send me the documentation for EPW, of the corrected formula implemented in EPW? I recently used that formula in one of my paper. A manual in a short page would be enough and helpful.

Thanks,
Shubham
by simba2828
Tue Mar 04, 2025 11:39 am
Forum: Running the code
Topic: memory error in EPW calculations
Replies: 6
Views: 41852

Re: memory error in EPW calculations

Hi SHashi,

I am using EPW 5.6, I will try with the latest version and get back to you.

Thank you
by simba2828
Wed Feb 26, 2025 6:02 am
Forum: Running the code
Topic: memory error in EPW calculations
Replies: 6
Views: 41852

Re: memory error in EPW calculations

Hi Shashi, When I remove max_memlt tag from the input, I get the following memory related error: stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine mem_size_eliashberg (1): Size of required memory exceeds max_memlt ...
by simba2828
Mon Feb 10, 2025 11:05 am
Forum: Running the code
Topic: memory error in EPW calculations
Replies: 6
Views: 41852

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 ...
by simba2828
Mon Jan 27, 2025 5:49 pm
Forum: Running the code
Topic: memory error in EPW calculations
Replies: 6
Views: 41852

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 ...
by simba2828
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: 8
Views: 31157

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 ...
by simba2828
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: 8
Views: 31157

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 ...
by simba2828
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: 8
Views: 31157

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 ...
by simba2828
Mon Apr 08, 2024 3:05 pm
Forum: Electron-phonon
Topic: Large smearing reducing CDW (phonon-softening)
Replies: 5
Views: 214049

Re: Large smearing reducing CDW (phonon-softening)

Dear Hitoshi,

Thank you for the response. This clears the confusion and answers my question.

Sincerely,
Shubham