EPW Forum

Dear Samuel,

Thank you very much for your reply

Best

Dear Samuel Thank you very much for your reply. Is it possible to get matrix element with EPW ? because I had read in this forum that we can get matrix element from linewidth.elself and linewidth.phself. If it is not possible, would you please suggest me an other way to get these matrix element? Bes...

Dear all, I would like to use the file linedwith.elself to plot the matrix element, in the file linedwith.elself i can see all the phonon mode for each energy level. In my case there are 6 mode for each energy level. I would like to know (in the 6 modes) which one is acoustic and which one is optica...

Try to check the spread of each band in the .wout file. The problem must be related to a very large value of the spread. Each spread must be lower than 5. I did it in my case and it worked.

Best

Dear Samuel,

Thank you very much

Best

Dear Samuel, Thank you very much for for kind reply. One more thing please . I would like to know if these values of spread are good or still large?? Because I used to have a total spread of 130 and you suggested me to play with Disentanglement. So I increased the number of iterations and have got a...

Dear all

Can anyone suggest me how to plot the band structure when using result from linewidth.elself. I would like to plot the band structure by including the linewidth for each band.

Best

Junior Kanga

Dear Samuel Thank you very much for your quick reply and suggestions. I didn't checked if bands structure overlay perfectly, I just focused on the shape. I have tried to use proj(1)= 'Sn:p' and proj(2)= 'Sn:s' and the code doesn't complain (thank you very much). But the final spread is still to larg...

Dear Samuel Ponc, I can get reasonable bands structure exactly like the other articles with this input but my coupling constant is too large. About my final Spread I can see: Spreads (Ang^2) Omega I = 76.811422973 ================ Omega D = 6.457229503 Omega OD = 46.785178669 Final Spread (Ang^2) Om...

Dear Roxana, I have first plotted the band structure in the energy range (Ef-1, Ef+1) with electron smearing ( 0.01 eV) and it describes well the original band structure. Then I used 350x350x1 kpoint grid and 100x100x1 qpoint grid but i still get very large value of coupling constant: -- &inpute...