EPW Forum

Hi Hao,

Can you make sure "dvscf_dir = './save' " contains all the required files? They are prefix.dyn_qXX, prefix.dvscf_qXX, and patterns.XX.xml in prefix.phsave directory.

Best,
Hari Paudyal

Hi Rapunzel, It is not easy to tell what happened with so few details. Looking your output, it looks like you do not have enough memory for the further calculation. I guess (because I do not know the input), for example if you are doing superconductivity, your el-ph matrix elements are written for 1...

Hi Mikhail, I am guessing few things based the information you shared. 1. Is your gap calculation conversed? You did not mention the other SC parameters you used for e.g wscut, convergence threshold, mu, temps etc. What value of \lambda did you get? You can plot similarly the \lambda in FS and see i...

Hi Jack, The Tc what you see in your epw output is the Allen-Dynes estimate, and that may be different in the isotropic/anisotropic calculations. The code does not stop at any temperatures, but may not converge (you may have seen a warning in your output). I am not sure what is your maximum phonon f...

Hi hhjw,

It is very difficult to get exactly what error you got from the information you provided. Someone will definitely help you if you provide your inputs and the outputs with the error.

Please do not forget to include your name and affiliation in the future posts.

Best,
Hari Paudyal

Hi Sylvester10 and Yue Gu,

Are you sure, you have 'As.ukk' (rotation matrix) saved from the 1st calculation (epw1.in)? I wonder if you have removed it by any chance.

Best,
Hari Paudyal

Hi Sandeep, The Tc value in your output is "Allen-Dynes" estimate. I think you should run isotropic/anisotropic calculations and plot gap wrt temp to compare with the ref you mentioned (Table I, Phys. Rev. B 66, 020513(R)). I have run the same input with the latest official version qe6.5 (epw5.2), a...

Hi Cathy,

I have an answer for your 2nd question. You can run Wannier90 and EPW separately. Only you need to save "prefix.ukk" file from Wannier90 and use it in the EPW calculations (please make sure that "wannierize = .false." in epw input).

Best,
Hari

Hi,

Could you please share your inputs for pw, ph, and epw? I want to reproduce your problem and find the solution.

Best,
Hari Paudyal

Hi,

It looks like you are restarting your job with "wannierize = .true.". You need to set it ".false." and use your "prefix.ukk" file.

Best,
Hari Paudyal