EPW Forum

Hi, To output k-point coordinates in crystal coordinates (instead of Cartesian) in the mobility_nk.fmt file, you can modify printing.f90 as follows: You can store crystal coordinates before conversion: xkk_cryst = xkf_all(:, ik) ! These are in crystal coordinates CALL cryst_to_cart(1, xkk_cart, bg ...

Hi Krishnedu, You don’t need to worry too much about the temperature range of the peak. For anisotropic calculations, we typically take the average quasiparticle gap at a given temperature and fit it either using the BCS equation or a simple guide-to-the-eye fit. Also, please keep in mind that the t ...

Hi Krishnedu,

Please use EPW-6.0.0

wget https://gitlab.com/epw/q-e/-/archive/EP ... 6.0.tar.gz

Regards,
Shashi

Hi Krishnendu, I could not reproduce the error. I tested the tutorial, and it ran successfully without any issues. I also tested your EPW input for the 5th step, and it worked fine. I am not sure what might be causing the problem on your end. Are you using the latest version of EPW? If not, I would ...

Dear Krishnendu, I think you might not have the " ir_nlambda6_ndigit8.dat " file in the irobjs folder. I could see that only the file included in irobjs is " ir_nlambda5_ndigit6.dat ". If you want to generate "ir_nlambda6_ndigit8.dat", you need to generate it using the command make irobjs as ...

Dear Apricity, You mentioned that the Fermi energy for AB-stacked bilayer graphene is –4.2568 eV in the SCF calculations, but –0.648629 eV in the EPW calculations. This suggests that your Wannierization may not be accurate. The Fermi level in EPW should be close to the SCF value, typically differing ...

Hi , This is not a bug. With a 4×4×4 q-grid, the number of q-points is 64, and the corresponding k-point mesh is 8×8×8. The size of epmatwp is given by: nbndsub × nbndsub × nrr_k × nmodes × nrr_g where nbndsub is the number of Wannier projections, nrr_k is proportional to the coarse k-grid, and nrr_g ...

Dear Krishnedu,

You might have missed the destination path while creating a soft link.

As shown in Exercise -3, the command is "ln -s ../epw1-lambda/*fmt ." You might have skipped . at the end.

Please check again.

Regards,
Shashi

Dear Ilias,

You can explain the orbital symmetry by analyzing the lambda_k_pairs and lambda_pairs files, along with the Fermi surface gap plot. Please also refer to the MgB2 example in EPW "https://docs.epw-code.org/doc/MgB2.html".

Regards,
Shashi

Dear Mab, From the results you shared, changing fsthick does not appear to affect the EPC or Tc values. However, you mentioned that the EPC constant is reduced while Tc shows a significant drop. Could you please clarify this? Second, it seems you have not varied the degaussw values when adjusting ...