EPW Forum

I have modified the code in wannier90 a bit so that it could generate the *.ukk file needed for EPW. However, when running from EPW, cautions should be taken on the wavefunctions, e.g. you need to use the same *.save folder for EPW calculation as in independent wannier90 calculations. The modified ...

Dear Lee,

Thank you so much for your help.

Best,
Fanchem

Dear Fanchem: In your case, you are using "Minimal-distance replica selection method" by adding "'use_ws_distance = .true." when interpolating band structures in Wannier90 (W90). So I think that you need to add "use_ws = .true." in your epw input for consistent comparison. Also, there is something ...

Dear Fanchem: In your case, you are using "Minimal-distance replica selection method" by adding "'use_ws_distance = .true." when interpolating band structures in Wannier90 (W90). So I think that you need to add "use_ws = .true." in your epw input for consistent comparison. Also, there is something ...

Dear Fanchem: In order to identify your issue, I need more information: Could you provide your obtained band dispersions and all relevant inputs and outputs? Sincerely, H. Lee Dear Lee, Thank you for your response. The comparison between the band structure using the two methods in EPW is attached ...

Dear H. Lee: The keyword of write_bvec is true in wse2.win final part of wse2.wout Delta: O_D= -0.3215106E-01 O_OD= 0.1539013E-02 O_TOT= -0.3061205E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 300 WF centre and spread 1 ( 1.796369, 1.209797, 10 ...

Dear all, I just noticed recently that the band obtained in EPW via keyword "band_plot" has some differences compared with the one obtained from wannier interpolation. The wannier interpolation is done also by EPW by setting keyword "wdata(1) = 'bands_plot = true'" and corresponding k-path. I ...

The authors of another software pointed out that It is important to keep in mind that the wavefunctions are spinors in non-collinear calcu- lations, so the symmetry operators D{S|t} should act both on the spatial coordinate and in spin space. Neglecting the rotation in spin space would lead to ...

PAW pseudopotentials are not supported in EPW.

Dear all, I am trying to do my calculation with screening effect included. After going through the code, I noticed there two parameter closely related to the screening effect: nel, and Fermi_diff. I have a few questions about the two parameters. For the Fermi_diff, it is described as "Difference ...